Summary

IMPPAT Phytochemical identifier: IMPHY014032

Phytochemical name: N-[2-(4-methoxyphenyl)ethyl]benzamide

Synonymous chemical names:
dihydroalatamide

External chemical identifiers:
CID:3083797, ChEMBL:CHEMBL1497400, ChEBI:157736, ZINC:ZINC000038144626, SureChEMBL:SCHEMBL2335992, MolPort-001-959-580

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Chemical structure information

SMILES:
COc1ccc(cc1)CCNC(=O)c1ccccc1

InChI:
InChI=1S/C16H17NO2/c1-19-15-9-7-13(8-10-15)11-12-17-16(18)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,17,18)

InChIKey:
RAOWOXJDGFFKKD-UHFFFAOYSA-N

DeepSMILES:
COcccccc6))CCNC=O)cccccc6

Functional groups:
cC(=O)NC, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(NCCc1ccccc1)c1ccccc1

Scaffold Graph/Node level:
OC(NCCC1CCCCC1)C1CCCCC1

Scaffold Graph level:
CC(CCCC1CCCCC1)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: -0.784

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Chemical structure download