Summary

IMPPAT Phytochemical identifier: IMPHY012447

Phytochemical name: n-[2-(1h-Indol-3-yl)ethyl]-n-methyl-2-(methylamino)benzamide

Synonymous chemical names:
evodiamide

External chemical identifiers:
CID:189454, ZINC:ZINC000005141033

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Chemical structure information

SMILES:
CNc1ccccc1C(=O)N(CCc1c[nH]c2c1cccc2)C

InChI:
InChI=1S/C19H21N3O/c1-20-17-9-5-4-8-16(17)19(23)22(2)12-11-14-13-21-18-10-6-3-7-15(14)18/h3-10,13,20-21H,11-12H2,1-2H3

InChIKey:
KDRYLUSBBOOWIC-UHFFFAOYSA-N

DeepSMILES:
CNcccccc6C=O)NCCcc[nH]cc5cccc6)))))))))))C

Functional groups:
cC(=O)N(C)C, cNC, c[nH]c

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(NCCc1c[nH]c2ccccc12)c1ccccc1

Scaffold Graph/Node level:
OC(NCCC1CNC2CCCCC12)C1CCCCC1

Scaffold Graph level:
CC(CCCC1CCC2CCCCC21)C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Benzene and substituted derivatives

ClassyFire Subclass: Benzoic acids and derivatives

NP Classifier Biosynthetic pathway: Alkaloids

NP-Likeness score: -0.935

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Chemical structure download