N-[5-(diethylamino)pentan-2-yl]-3,4,5-trimethoxybenzamide (CED0270833)

Record Information
Version1.0
Creation Date2026-08-29 18:49:44 UTC
Update Date2026-08-29 18:49:44 UTC
SynCED IDCED0270833
Secondary Accession Numbers
  • CHEM315970
Identification
Common NameN-[5-(diethylamino)pentan-2-yl]-3,4,5-trimethoxybenzamide
ClassSmall Molecule
Description
N-[5-(diethylamino)pentan-2-yl]-3,4,5-trimethoxybenzamide is a chemical compound with the formula C19H32N2O4. It has an average molecular weight of 352.50 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC19H32N2O4
Average Molecular MassNot Available
Monoisotopic Mass352.236 g/mol
CAS Registry Number1243-14-7
IUPAC NameNot Available
Traditional NameNot Available
SMILESCCN(CC)CCCC(C)NC(=O)C1=CC(=C(C(=C1)OC)OC)OC
InChI IdentifierInChI=1S/C19H32N2O4/c1-7-21(8-2)11-9-10-14(3)20-19(22)15-12-16(23-4)18(25-6)17(13-15)24-5/h12-14H,7-11H2,1-6H3,(H,20,22)
InChI KeyISAXYRXEJSEHRF-UHFFFAOYSA-N
Chemical Taxonomy
ClassificationNot classified
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 PropertiesNot Available
Spectra
SpectraNot Available
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
535.0 Log mg/kg [300:950]RatLD50oralpredictedNot AvailableNot Available
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
CEDs000670Solid Fire Fighting Substances?Solid fire fighting substances, such as certain types of dry chemical powders, are used in fire suppression applications to extinguish flames and prevent fire spread.Fire suppression systems & agentsPubChem
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureEquilibrative nucleoside transporter 2O54699Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.351
Applicability Domain
0.351
Statistical Significance
3.50e-04
Supporting Reference Compounds
1
E-value
2.72472
5-hydroxytryptamine receptor 2A structureClick to view 3D structure5-hydroxytryptamine receptor 2AP28223HumansPredicted (SEA)
Prediction Confidence Score
0.348
Applicability Domain
0.367
Statistical Significance
0.0355
Supporting Reference Compounds
955
E-value
276.598
Alpha-2A adrenergic receptor structureClick to view 3D structureAlpha-2A adrenergic receptorP08913HumansPredicted (SEA)
Prediction Confidence Score
0.346
Applicability Domain
0.367
Statistical Significance
0.0148
Supporting Reference Compounds
487
E-value
115.606
D(3) dopamine receptor structureClick to view 3D structureD(3) dopamine receptorP35462HumansPredicted (SEA)
Prediction Confidence Score
0.344
Applicability Domain
0.367
Statistical Significance
0.032
Supporting Reference Compounds
861
E-value
249.429
Chromobox protein homolog 5 structureClick to view 3D structureChromobox protein homolog 5P45973HumansPredicted (SEA)
Prediction Confidence Score
0.333
Applicability Domain
0.333
Statistical Significance
0.0032
Supporting Reference Compounds
1
E-value
24.8339
Muscarinic acetylcholine receptor M2 structureClick to view 3D structureMuscarinic acetylcholine receptor M2P08172HumansPredicted (SEA)
Prediction Confidence Score
0.327
Applicability Domain
0.348
Statistical Significance
0.0127
Supporting Reference Compounds
373
E-value
99.2578
Muscarinic acetylcholine receptor M3 structureClick to view 3D structureMuscarinic acetylcholine receptor M3P20309HumansPredicted (SEA)
Prediction Confidence Score
0.325
Applicability Domain
0.348
Statistical Significance
0.0106
Supporting Reference Compounds
310
E-value
82.598
Muscarinic acetylcholine receptor M1 structureClick to view 3D structureMuscarinic acetylcholine receptor M1P11229HumansPredicted (SEA)
Prediction Confidence Score
0.322
Applicability Domain
0.348
Statistical Significance
0.0169
Supporting Reference Compounds
385
E-value
131.254
Muscarinic acetylcholine receptor M4 structureClick to view 3D structureMuscarinic acetylcholine receptor M4P08173HumansPredicted (SEA)
Prediction Confidence Score
0.32
Applicability Domain
0.348
Statistical Significance
0.012
Supporting Reference Compounds
297
E-value
93.3412
5-hydroxytryptamine receptor 2C structureClick to view 3D structure5-hydroxytryptamine receptor 2CP28335HumansPredicted (SEA)
Prediction Confidence Score
0.317
Applicability Domain
0.367
Statistical Significance
0.0459
Supporting Reference Compounds
823
E-value
357.328
5-hydroxytryptamine receptor 2B structureClick to view 3D structure5-hydroxytryptamine receptor 2BP41595HumansPredicted (SEA)
Prediction Confidence Score
0.316
Applicability Domain
0.367
Statistical Significance
0.0364
Supporting Reference Compounds
686
E-value
283.76
Sigma non-opioid intracellular receptor 1 structureClick to view 3D structureSigma non-opioid intracellular receptor 1Q99720HumansPredicted (SEA)
Prediction Confidence Score
0.313
Applicability Domain
0.329
Statistical Significance
0.0496
Supporting Reference Compounds
562
E-value
386.521
Click to view 3D structureSigma intracellular receptor 2Q5BJF2HumansPredicted (SEA)
Prediction Confidence Score
0.309
Applicability Domain
0.329
Statistical Significance
0.0276
Supporting Reference Compounds
308
E-value
214.708
Alpha-2C adrenergic receptor structureClick to view 3D structureAlpha-2C adrenergic receptorP18825HumansPredicted (SEA)
Prediction Confidence Score
0.307
Applicability Domain
0.348
Statistical Significance
0.0262
Supporting Reference Compounds
386
E-value
203.809
D(2) dopamine receptor structureClick to view 3D structureD(2) dopamine receptorP14416HumansPredicted (SEA)
Prediction Confidence Score
0.303
Applicability Domain
0.367
Statistical Significance
0.0829
Supporting Reference Compounds
1103
E-value
645.059
Acetylcholinesterase structureClick to view 3D structureAcetylcholinesteraseP22303HumansPredicted (SEA)
Prediction Confidence Score
0.303
Applicability Domain
0.348
Statistical Significance
0.038
Supporting Reference Compounds
406
E-value
296.216
5-hydroxytryptamine receptor 1A structureClick to view 3D structure5-hydroxytryptamine receptor 1AP08908HumansPredicted (SEA)
Prediction Confidence Score
0.298
Applicability Domain
0.333
Statistical Significance
0.0747
Supporting Reference Compounds
953
E-value
581.222
Alpha-2B adrenergic receptor structureClick to view 3D structureAlpha-2B adrenergic receptorP18089HumansPredicted (SEA)
Prediction Confidence Score
0.298
Applicability Domain
0.348
Statistical Significance
0.0292
Supporting Reference Compounds
340
E-value
227.008
Chromobox protein homolog 8 structureClick to view 3D structureChromobox protein homolog 8Q9HC52HumansPredicted (SEA)
Prediction Confidence Score
0.289
Applicability Domain
0.333
Statistical Significance
0.0075
Supporting Reference Compounds
12
E-value
58.6983
Cytochrome P450 2D6 structureClick to view 3D structureCytochrome P450 2D6P10635HumansPredicted (SEA)
Prediction Confidence Score
0.289
Applicability Domain
0.367
Statistical Significance
0.1484
Supporting Reference Compounds
1130
E-value
1154.97
Muscarinic acetylcholine receptor M5 structureClick to view 3D structureMuscarinic acetylcholine receptor M5P08912HumansPredicted (SEA)
Prediction Confidence Score
0.289
Applicability Domain
0.348
Statistical Significance
0.0272
Supporting Reference Compounds
266
E-value
212.139
Chromobox protein homolog 7 structureClick to view 3D structureChromobox protein homolog 7O95931HumansPredicted (SEA)
Prediction Confidence Score
0.287
Applicability Domain
0.333
Statistical Significance
0.0134
Supporting Reference Compounds
25
E-value
104.084
E3 SUMO-protein ligase CBX4 structureClick to view 3D structureE3 SUMO-protein ligase CBX4O00257HumansPredicted (SEA)
Prediction Confidence Score
0.287
Applicability Domain
0.333
Statistical Significance
0.0088
Supporting Reference Compounds
9
E-value
68.1959
Histamine H2 receptor structureClick to view 3D structureHistamine H2 receptorP25021HumansPredicted (SEA)
Prediction Confidence Score
0.287
Applicability Domain
0.348
Statistical Significance
0.0296
Supporting Reference Compounds
256
E-value
230.745
Chromodomain Y-like protein 2 structureClick to view 3D structureChromodomain Y-like protein 2Q8N8U2HumansPredicted (SEA)
Prediction Confidence Score
0.286
Applicability Domain
0.333
Statistical Significance
0.0082
Supporting Reference Compounds
13
E-value
63.7585
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available