Summary

IMPPAT Phytochemical identifier: IMPHY013996

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

Synonymous chemical names:
n-benzoyltyramine

External chemical identifiers:
CID:577614, ChEMBL:CHEMBL152297, ZINC:ZINC000012343956, SureChEMBL:SCHEMBL5594655

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Chemical structure information

SMILES:
Oc1ccc(cc1)CCNC(=O)c1ccccc1

InChI:
InChI=1S/C15H15NO2/c17-14-8-6-12(7-9-14)10-11-16-15(18)13-4-2-1-3-5-13/h1-9,17H,10-11H2,(H,16,18)

InChIKey:
MUCNBPCTSRYLCB-UHFFFAOYSA-N

DeepSMILES:
Occcccc6))CCNC=O)cccccc6

Functional groups:
cC(=O)NC, cO

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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: Phenols

ClassyFire Subclass: 1-hydroxy-2-unsubstituted benzenoids

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids

NP Classifier Class: Phenylethylamines

NP-Likeness score: -0.461

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Chemical structure download