2-Ethoxybenzamide (CED0015311)

Record Information
Version1.0
Creation Date2016-05-22 03:26:52 UTC
Update Date2026-08-25 09:19:50 UTC
SynCED IDCED0015311
Secondary Accession Numbers
  • CHEM016306
Identification
Common Name2-Ethoxybenzamide
ClassSmall Molecule
Description
2-Ethoxybenzamide is an organic compound with the formula C9H11NO2 and an average molecular weight of 165.19 g/mol. 2-Ethoxybenzamide belongs to the benzoic acids and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. This compound is found in or released from seven recorded sources. Within the category of healthcare, pharmaceuticals, and veterinary products, it is used in analgesics. In food, food processing, and cookware, it is utilized for food preservation. It is also present in electrical and electronic equipment, specifically in electric switches and electrically stimulated smoking devices. Additionally, it is found in household cleaning and consumer products, including soap detergents, bleaching agents, and perfumes within detergents and soaps. The recorded exposure route for this substance is oral.
Contaminant TypeNot Available
Chemical Structure
Synonyms
ValueSource
EtenzamideChEMBL
EthenzamideMeSH
O-EthoxybenzamideMeSH
2-Ethoxy-benzamideMeSH
2-Ethoxybenzene-1-carboximidateGenerator
Chemical FormulaC9H11NO2
Average Molecular Mass165.192 g/mol
Monoisotopic Mass165.079 g/mol
CAS Registry Number938-73-8
IUPAC Name2-ethoxybenzene-1-carboximidic acid
Traditional Nameetamide
SMILESCCOC1=CC=CC=C1C(O)=N
InChI IdentifierInChI=1S/C9H11NO2/c1-2-12-8-6-4-3-5-7(8)9(10)11/h3-6H,2H2,1H3,(H2,10,11)
InChI KeySBNKFTQSBPKMBZ-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as benzamides. These are organic compounds containing a carboxamido substituent attached to a benzene ring.
KingdomOrganic compounds
Super ClassBenzenoids
ClassBenzene and substituted derivatives
Sub ClassBenzoic acids and derivatives
Direct ParentBenzamides
Alternative Parents
Substituents
  • Benzamide
  • Phenoxy compound
  • Benzoyl
  • Phenol ether
  • Alkyl aryl ether
  • Carboxamide group
  • Primary carboxylic acid amide
  • Carboxylic acid derivative
  • Ether
  • Organic nitrogen compound
  • Organonitrogen compound
  • Organooxygen compound
  • Hydrocarbon derivative
  • Organic oxide
  • Organopnictogen compound
  • Organic oxygen compound
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External DescriptorsNot Available
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility0.84 g/LALOGPS
logP1.06ALOGPS
logP1.61ChemAxon
logS-2.3ALOGPS
pKa (Strongest Acidic)7.9ChemAxon
pKa (Strongest Basic)6.2ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area53.31 ŲChemAxon
Rotatable Bond Count3ChemAxon
Refractivity57.28 m³·mol⁻¹ChemAxon
Polarizability17.39 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
GC-MSGC-MS Spectrumsplash10-00di-1900000000-bcc16f34f2d38dc44482Not AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-00dl-6900000000-8e77edbc0a9e88098d92Not AvailableView Spectrum
Predicted GC-MSPredicted GC-MS Spectrumsplash10-0079-2900000000-e63c087be686faa7b17bNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-014i-0900000000-57ff2705911b733beaa4Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0002-0900000000-f3b797560e97d7d58cb2Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0fk9-7900000000-7e2eb1b988b01226a3f4Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03di-0900000000-4be7ea8b1edaacaab977Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03du-2900000000-045ddb93847e4bbfd20cNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0006-9200000000-d64329f214dfda921232Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00di-0900000000-8a63ffbfae6deceef30bNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00di-0900000000-487e33b253c73ad52db4Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00di-9700000000-494e2ff881d72ac0b26bNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03di-1900000000-b46e72c1e20f59bc755aNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0006-9200000000-a465dc4f6615961c4522Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0006-9000000000-90726b17dc36e29c5299Not AvailableView Spectrum
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
854.0 Log mg/kg [480:1500]RatLD50oralpredictedNot AvailableNot Available
360.0 mg/kg-day MouseNOELoralexperimentalNot AvailableECOTOX - EPA ORD
Toxicity / Toxin ClassNot Available
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Health Effects
Health EffectRelationshipDirectionDescriptionReference
Exposure Sources
Source IDSourceSectorReference
CEDs000010Insecticides?Insecticides are synthetic chemicals designed to control or eliminate insect pests that threaten crops and other agricultural products.Agriculture & land managementPubChem
CEDs000370Analgesics?Analgesics are a class of synthetic chemicals designed to alleviate pain.Healthcare, pharmaceuticals & veterinary productsNot Available
CEDs000517Electric Switches?Electric switches, integral components in numerous devices, can be a source of synthetic chemical contamination due to the materials and manufacturing processes involved in their production.Electrical & Electronic EquipmentPubChem
CEDs000518Electrically Stimulated Smoking Devices?Electrically stimulated smoking devices, commonly known as e-cigarettes or vape pens, utilize electrical components to heat a liquid solution, often containing nicotine, flavorings, and other additives, to produce an aerosol for inhalation.Electrical & Electronic EquipmentPubChem
CEDs000545Food Preservation?Food preservation often involves the use of synthetic chemicals, such as preservatives, flavor enhancers, and color additives, to extend shelf life and enhance the sensory qualities of food products.Food, food processing & cookwarePubChem
CEDs000555Bleaching Agents?Bleaching agents are chemical substances used to whiten or lighten materials, often employed in various cleaning products for their stain removal and disinfecting properties.Household cleaning & consumer productsPubChem
CEDs000561Perfumes Within Detergents And Soaps?Perfumes within detergents and soaps are synthetic fragrance compounds added to enhance the sensory experience of cleaning products.Household cleaning & consumer productsPubChem
CEDs000563Soap Detergents?Soap detergents are synthetic surfactants designed to enhance the cleaning efficacy of water by reducing surface tension, allowing for better interaction with dirt and grease.Household cleaning & consumer productsPubChem
CEDs000596Acaricides?Acaricides are synthetic chemicals specifically designed to target and control mite populations that can damage crops and plants.Agriculture & land managementPubChem
CEDs000600Herbicides And Algicides?Herbicides and algicides are synthetic chemicals primarily used to control unwanted plants and algae in various environments.Agriculture & land managementPubChem
CEDs000606Plant Growth Regulators?Plant Growth Regulators (PGRs) are synthetic chemicals designed to influence the growth and development of plants.Agriculture & land managementPubChem
CEDs000609Aftershave?Aftershave is a grooming product typically used to soothe and protect the skin following shaving.Personal care & cosmeticsPubChem
CEDs000610Aftersun Products?Aftersun products are designed to soothe and hydrate the skin after sun exposure, often containing various synthetic chemicals such as emollients, preservatives, and fragrances.Personal care & cosmeticsPubChem
CEDs000611Anti Perspirants Or Body Deoderants?Antiperspirants and body deodorants commonly contain synthetic chemicals such as aluminum compounds, parabens, and synthetic fragrances.Personal care & cosmeticsPubChem
CEDs000614Essential Oils Or Perfumes?Essential oils and perfumes are complex mixtures of volatile compounds derived from natural or synthetic sources, commonly used for their aromatic properties.Personal care & cosmeticsPubChem
CEDs000652Ropes?Ropes manufactured from synthetic fibers, such as polypropylene, nylon, and polyester, are widely used in various applications, including marine, construction, and outdoor activities.Textiles, leather & furnishingsPubChem
CEDs000659Transfer Printing?Transfer printing is a process used to apply designs and patterns onto various substrates, commonly utilizing synthetic dyes and inks that can contain hazardous chemicals.Textiles, leather & furnishingsPubChem
CEDs000662Yarns Or Threads?Yarns or threads used in textiles can be a source of synthetic chemical contamination due to the production processes and treatments they undergo.Textiles, leather & furnishingsPubChem
CEDs000671Airplanes And Helicopters?Airplanes and helicopters are significant sources of synthetic chemical contamination primarily through the use of aviation fuels, lubricants, and de-icing agents.Aviation & AerospacePubChem
CEDs000679Phosphatic Fertilisers?Phosphatic fertilizers are synthetic chemical products primarily composed of phosphorus, which is essential for plant growth.Agriculture & land managementPubChem
CEDs000696Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.Industrial manufacturing & chemical processingPubChem
CEDs000735Explosives?Explosives are chemical compounds or mixtures designed to undergo rapid decomposition, releasing energy in the form of gas and heat.Defense & military infrastructurePubChem
CEDs000739Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.Paper, pulp & fiber productsPubChem
CEDs000740Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.Paper, pulp & fiber productsPubChem
CEDs000744Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.Wastewater, sanitation & biosolidsPubChem
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 2 structureClick to view 3D structurePotassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 2Q9UL51HumansPredicted (SEA)
Prediction Confidence Score
0.352
Applicability Domain
0.352
Statistical Significance
1.60e-04
Supporting Reference Compounds
1
E-value
1.24559
Sodium-dependent dopamine transporter structureClick to view 3D structureSodium-dependent dopamine transporterQ01959HumansPredicted (SEA)
Prediction Confidence Score
0.319
Applicability Domain
0.333
Statistical Significance
0.026
Supporting Reference Compounds
506
E-value
202.797
Sodium-dependent noradrenaline transporter structureClick to view 3D structureSodium-dependent noradrenaline transporterP23975HumansPredicted (SEA)
Prediction Confidence Score
0.319
Applicability Domain
0.333
Statistical Significance
0.0236
Supporting Reference Compounds
451
E-value
183.646
Potassium channel subfamily K member 3 structureClick to view 3D structurePotassium channel subfamily K member 3O14649HumansPredicted (SEA)
Prediction Confidence Score
0.308
Applicability Domain
0.396
Statistical Significance
0.004
Supporting Reference Compounds
15
E-value
31.3732
Sodium-dependent serotonin transporter structureClick to view 3D structureSodium-dependent serotonin transporterP31645HumansPredicted (SEA)
Prediction Confidence Score
0.299
Applicability Domain
0.314
Statistical Significance
0.0516
Supporting Reference Compounds
593
E-value
401.702
Click to view 3D structure5-hydroxytryptamine receptor 1AP19327Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.296
Applicability Domain
0.321
Statistical Significance
0.0578
Supporting Reference Compounds
541
E-value
450.124
Cytochrome P450 2D6 structureClick to view 3D structureCytochrome P450 2D6P10635HumansPredicted (SEA)
Prediction Confidence Score
0.293
Applicability Domain
0.321
Statistical Significance
0.132
Supporting Reference Compounds
1130
E-value
1027.69
Mitochondrial import inner membrane translocase subunit TIM23 structureClick to view 3D structureMitochondrial import inner membrane translocase subunit TIM23P32897Saccharomyces cerevisiae S288cPredicted (SEA)
Prediction Confidence Score
0.29
Applicability Domain
0.364
Statistical Significance
0.0071
Supporting Reference Compounds
75
E-value
54.9616
Induced myeloid leukemia cell differentiation protein Mcl-1 structureClick to view 3D structureInduced myeloid leukemia cell differentiation protein Mcl-1Q07820HumansPredicted (SEA)
Prediction Confidence Score
0.289
Applicability Domain
0.364
Statistical Significance
0.0268
Supporting Reference Compounds
343
E-value
208.558
Mitochondrial import inner membrane translocase subunit TIM10 structureClick to view 3D structureMitochondrial import inner membrane translocase subunit TIM10P87108Saccharomyces cerevisiae S288cPredicted (SEA)
Prediction Confidence Score
0.288
Applicability Domain
0.364
Statistical Significance
0.0034
Supporting Reference Compounds
64
E-value
26.7801
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)
Prediction Confidence Score
0.285
Applicability Domain
0.324
Statistical Significance
0.0452
Supporting Reference Compounds
332
E-value
352.268
Sigma non-opioid intracellular receptor 1 structureClick to view 3D structureSigma non-opioid intracellular receptor 1Q99720HumansPredicted (SEA)
Prediction Confidence Score
0.285
Applicability Domain
0.321
Statistical Significance
0.0866
Supporting Reference Compounds
562
E-value
674.174
Beta-2 adrenergic receptor structureClick to view 3D structureBeta-2 adrenergic receptorP07550HumansPredicted (SEA)
Prediction Confidence Score
0.284
Applicability Domain
0.321
Statistical Significance
0.0245
Supporting Reference Compounds
258
E-value
190.731
Beta-1 adrenergic receptor structureClick to view 3D structureBeta-1 adrenergic receptorP08588HumansPredicted (SEA)
Prediction Confidence Score
0.282
Applicability Domain
0.321
Statistical Significance
0.0188
Supporting Reference Compounds
180
E-value
146.123
Coagulation factor X structureClick to view 3D structureCoagulation factor XP00742HumansPredicted (SEA)
Prediction Confidence Score
0.281
Applicability Domain
0.321
Statistical Significance
0.0524
Supporting Reference Compounds
284
E-value
408.008
Potassium channel subfamily K member 9 structureClick to view 3D structurePotassium channel subfamily K member 9Q9NPC2HumansPredicted (SEA)
Prediction Confidence Score
0.281
Applicability Domain
0.396
Statistical Significance
0.0066
Supporting Reference Compounds
10
E-value
51.0691
Prostaglandin G/H synthase 1 structureClick to view 3D structureProstaglandin G/H synthase 1P23219HumansPredicted (SEA)
Prediction Confidence Score
0.28
Applicability Domain
0.361
Statistical Significance
0.0182
Supporting Reference Compounds
136
E-value
141.374
5-hydroxytryptamine receptor 2B structureClick to view 3D structure5-hydroxytryptamine receptor 2BP41595HumansPredicted (SEA)
Prediction Confidence Score
0.28
Applicability Domain
0.321
Statistical Significance
0.0902
Supporting Reference Compounds
686
E-value
702.044
5-hydroxytryptamine receptor 1B structureClick to view 3D structure5-hydroxytryptamine receptor 1BP28222HumansPredicted (SEA)
Prediction Confidence Score
0.28
Applicability Domain
0.286 Low confidence
Statistical Significance
0.0502
Supporting Reference Compounds
337
E-value
390.725
p-hydroxybenzoate hydroxylase structureClick to view 3D structurep-hydroxybenzoate hydroxylaseP00438Pseudomonas fluorescensPredicted (SEA)
Prediction Confidence Score
0.279
Applicability Domain
0.279 Low confidence
Statistical Significance
0.0056
Supporting Reference Compounds
1
E-value
43.8291
5-hydroxytryptamine receptor 2C structureClick to view 3D structure5-hydroxytryptamine receptor 2CP28335HumansPredicted (SEA)
Prediction Confidence Score
0.279
Applicability Domain
0.321
Statistical Significance
0.1158
Supporting Reference Compounds
823
E-value
901.338
5-hydroxytryptamine receptor 2A structureClick to view 3D structure5-hydroxytryptamine receptor 2AP28223HumansPredicted (SEA)
Prediction Confidence Score
0.279
Applicability Domain
0.321
Statistical Significance
0.1346
Supporting Reference Compounds
955
E-value
1048.24
5-hydroxytryptamine receptor 6 structureClick to view 3D structure5-hydroxytryptamine receptor 6P50406HumansPredicted (SEA)
Prediction Confidence Score
0.279
Applicability Domain
0.321
Statistical Significance
0.0741
Supporting Reference Compounds
536
E-value
576.863
Voltage-gated inwardly rectifying potassium channel KCNH2 structureClick to view 3D structureVoltage-gated inwardly rectifying potassium channel KCNH2Q12809HumansPredicted (SEA)
Prediction Confidence Score
0.279
Applicability Domain
0.321
Statistical Significance
0.2749
Supporting Reference Compounds
1498
E-value
2140.31
Prostaglandin G/H synthase 2 structureClick to view 3D structureProstaglandin G/H synthase 2P35354HumansPredicted (SEA)
Prediction Confidence Score
0.279
Applicability Domain
0.361
Statistical Significance
0.0312
Supporting Reference Compounds
201
E-value
243.045
Concentrations
Not Available
External Links
DrugBank IDDB13544
HMDB IDHMDB0245110
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkEthenzamide
Chemspider ID3167
ChEBI IDNot Available
PubChem Compound IDNot Available
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available