CHEBI:94188 - N'-(2-aminophenyl)-N-(4-methylphenyl)heptanediamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N'-(2-aminophenyl)-N-(4-methylphenyl)heptanediamide
ChEBI ID CHEBI:94188
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C20H25N3O2
Net Charge 0
Average Mass 339.432
Monoisotopic Mass 339.19468
InChI InChI=1S/C20H25N3O2/c1-15-11-13-16(14-12-15)22-19(24)9-3-2-4-10-20(25)23-18-8-6-5-7-17(18)21/h5-8,11-14H,2-4,9-10,21H2,1H3,(H,22,24)(H,23,25)
InChIKey WTKBRPXPNAKVEQ-UHFFFAOYSA-N
SMILES CC1=CC=C(C=C1)NC(=O)CCCCCC(=O)NC2=CC=CC=C2N
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing N'-(2-aminophenyl)-N-(4-methylphenyl)heptanediamide (CHEBI:94188) is a aromatic amide (CHEBI:62733)
N'-(2-aminophenyl)-N-(4-methylphenyl)heptanediamide (CHEBI:94188) is a aromatic amine (CHEBI:33860)
Manual Xref Database
LSM-4808 LINCS
View more database links