Summary

IMPPAT Phytochemical identifier: IMPHY014467

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

Synonymous chemical names:
n-docosanoyltyramine

External chemical identifiers:
CID:71354089

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCCCCC(=O)NCCc1ccc(cc1)O

InChI:
InChI=1S/C30H53NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-30(33)31-27-26-28-22-24-29(32)25-23-28/h22-25,32H,2-21,26-27H2,1H3,(H,31,33)

InChIKey:
IMRCWIVSPJOTKF-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCC=O)NCCcccccc6))O

Functional groups:
CNC(C)=O, cO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccccc1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
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: Fatty acids

NP Classifier Superclass: Fatty amides

NP Classifier Class: N-acyl amines

NP-Likeness score: -0.026

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Chemical structure download