N-benzyl-2-(3-formylindol-1-yl)acetamide (CED0072738)

Record Information
Version1.0
Creation Date2026-08-19 23:22:35 UTC
Update Date2026-08-19 23:22:35 UTC
Accession NumberCHEM195064
Identification
Common NameN-benzyl-2-(3-formylindol-1-yl)acetamide
ClassSmall Molecule
Description
N-benzyl-2-(3-formylindol-1-yl)acetamide is an organic compound with the chemical formula C18H16N2O2 and an average molecular weight of 292.30 g/mol. N-benzyl-2-(3-formylindol-1-yl)acetamide belongs to the n-alkylindoles, a subclass of indoles and derivatives within the organic compounds. It is further classified under the superclass of organoheterocyclic compounds. The substance has been identified in or released from 13 recorded sources. Within the category of electrical and electronic equipment, it is associated with antennas, auxiliary devices, coils, emergency protective devices, adjustable resistors, and three additional sources. It is also found in building and construction materials, specifically ceilings. In the context of food, food processing, and cookware, the compound is linked to the processing of meats. Additionally, it appears in household cleaning and consumer products, including ash trays, non electric simulated smoking devices, and other smoking requisites.
Contaminant TypeNot Available
Chemical Structure
SynonymsNot Available
Chemical FormulaC18H16N2O2
Average Molecular Mass292.300 g/mol
Monoisotopic Mass292.121 g/mol
CAS Registry Number97955-89-0
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C18H16N2O2/c21-13-15-11-20(17-9-5-4-8-16(15)17)12-18(22)19-10-14-6-2-1-3-7-14/h1-9,11,13H,10,12H2,(H,19,22)
InChI KeyRCHKEJKUUXXBSM-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
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity Values
Toxicity ValueUnitValue RangeOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalReference
1552.0Log mg/kg[870:2800]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
495CeilingsBuilding & ConstructionNot Available
504Adjustable ResistorsElectrical & Electronic EquipmentNot Available
506AntennasElectrical & Electronic EquipmentNot Available
507Auxiliary DevicesElectrical & Electronic EquipmentNot Available
508CoilsElectrical & Electronic EquipmentNot Available
520Emergency Protective DevicesElectrical & Electronic EquipmentNot Available
526LoudspeakersElectrical & Electronic EquipmentNot Available
527MagnetsElectrical & Electronic EquipmentNot Available
529Power CablesElectrical & Electronic EquipmentNot Available
552Processing MeatsFood, food processing & cookwareNot Available
554Ash TraysHousehold cleaning & consumer productsNot Available
559Non Electric Simulated Smoking DevicesHousehold cleaning & consumer productsNot Available
560Other Smoking RequisitesHousehold cleaning & consumer productsNot Available
579Manufacture Of Iron Or SteelIndustrial manufacturing & chemical processingNot Available
625Racing SportsRecreation & sports surfacesNot Available
638Decorating TextilesTextiles, leather & furnishingsNot Available
643HeadwearTextiles, leather & furnishingsNot Available
652RopesTextiles, leather & furnishingsNot Available
655Slide FastenersTextiles, leather & furnishingsNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureFatty acid-binding protein, adipocyteP70623Rattus norvegicusPredicted (SEA)2.25763
Click to view 3D structurePlasminogen activator inhibitor 1P20961Rattus norvegicusPredicted (SEA)52.8596
Protein deacetylase HDAC6 structureClick to view 3D structureProtein deacetylase HDAC6Q9UBN7HumansPredicted (SEA)2433.8
Amyloid-beta precursor protein structureClick to view 3D structureAmyloid-beta precursor proteinP05067HumansPredicted (SEA)403.726
Dual specificity protein phosphatase 3 structureClick to view 3D structureDual specificity protein phosphatase 3P51452HumansPredicted (SEA)449.891
Serine/threonine-protein kinase pim-1 structureClick to view 3D structureSerine/threonine-protein kinase pim-1P11309HumansPredicted (SEA)3633.22
Cytochrome P450 2D6 structureClick to view 3D structureCytochrome P450 2D6P10635HumansPredicted (SEA)4704.58
Cannabinoid receptor 2 structureClick to view 3D structureCannabinoid receptor 2P34972HumansPredicted (SEA)1124.53
Cytochrome P450 2C9 structureClick to view 3D structureCytochrome P450 2C9P11712HumansPredicted (SEA)5144.74
Cytochrome P450 3A4 structureClick to view 3D structureCytochrome P450 3A4P08684HumansPredicted (SEA)5576.18
Click to view 3D structureCannabinoid receptor 1P20272Rattus norvegicusPredicted (SEA)309.684
Click to view 3D structureProstaglandin D2 receptorQ13258HumansPredicted (SEA)502.127
Prostaglandin E2 receptor EP3 subtype structureClick to view 3D structureProstaglandin E2 receptor EP3 subtypeP43115HumansPredicted (SEA)584.57
Histone deacetylase 8 structureClick to view 3D structureHistone deacetylase 8Q9BY41HumansPredicted (SEA)2246.18
Histone deacetylase 1 structureClick to view 3D structureHistone deacetylase 1Q13547HumansPredicted (SEA)3011.68
Prostaglandin E2 receptor EP4 subtype structureClick to view 3D structureProstaglandin E2 receptor EP4 subtypeP35408HumansPredicted (SEA)710.141
Protein kinase C alpha type structureClick to view 3D structureProtein kinase C alpha typeP17252HumansPredicted (SEA)1541.57
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)2096.25
Prostaglandin E2 receptor EP2 subtype structureClick to view 3D structureProstaglandin E2 receptor EP2 subtypeP43116HumansPredicted (SEA)748.287
Nucleic acid dioxygenase ALKBH1 structureClick to view 3D structureNucleic acid dioxygenase ALKBH1Q13686HumansPredicted (SEA)127.128
Histone deacetylase 2 structureClick to view 3D structureHistone deacetylase 2Q92769HumansPredicted (SEA)2647.89
Click to view 3D structureATP-dependent molecular chaperone HSP82C4YTQ8Candida albicans (strain WO-1) (Yeast)Predicted (SEA)1392.64
Click to view 3D structureCannabinoid receptor 1P47746Mus musculusPredicted (SEA)192.365
Apoptosis regulator Bcl-2 structureClick to view 3D structureApoptosis regulator Bcl-2P10415HumansPredicted (SEA)266.556
Prostaglandin D2 receptor 2 structureClick to view 3D structureProstaglandin D2 receptor 2Q9Y5Y4HumansPredicted (SEA)150.872
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available