Summary

IMPPAT Phytochemical identifier: IMPHY007533

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

Synonymous chemical names:
alatamide

External chemical identifiers:
CID:6443022, SureChEMBL:SCHEMBL19435704

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Chemical structure information

SMILES:
COc1ccc(cc1)/C=C/NC(=O)c1ccccc1

InChI:
InChI=1S/C16H15NO2/c1-19-15-9-7-13(8-10-15)11-12-17-16(18)14-5-3-2-4-6-14/h2-12H,1H3,(H,17,18)/b12-11+

InChIKey:
NKRGQVJLZLCSPM-VAWYXSNFSA-N

DeepSMILES:
COcccccc6))/C=C/NC=O)cccccc6

Functional groups:
c/C=C/NC(c)=O, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(NC=Cc1ccccc1)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: Shikimates and Phenylpropanoids

NP Classifier Superclass: Phenylpropanoids (C6-C3)

NP-Likeness score: -0.069

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Chemical structure download