Summary

IMPPAT Phytochemical identifier: IMPHY013985

Phytochemical name: 2-(methylamino)-N-phenylacetamide

Synonymous chemical names:
2-methylamino-n-phenyl-acetamide

External chemical identifiers:
CID:541846, ZINC:ZINC000019277532, SureChEMBL:SCHEMBL5969586

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Chemical structure information

SMILES:
CNCC(=O)Nc1ccccc1

InChI:
InChI=1S/C9H12N2O/c1-10-7-9(12)11-8-5-3-2-4-6-8/h2-6,10H,7H2,1H3,(H,11,12)

InChIKey:
GPKJKIOOIVUFMI-UHFFFAOYSA-N

DeepSMILES:
CNCC=O)Ncccccc6

Functional groups:
CNC, cNC(C)=O

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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: Organic acids and derivatives

ClassyFire Class: Carboxylic acids and derivatives

ClassyFire Subclass: Amino acids, peptides, and analogues

NP Classifier Biosynthetic pathway: Amino acids and Peptides, Shikimates and Phenylpropanoids

NP Classifier Superclass: Small peptides

NP Classifier Class: Aminoacids

NP-Likeness score: -1.321

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Chemical structure download