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CHEBI:84085 - 2-(acetylamino)-4-methylphenyl acetate

ChEBI IDCHEBI:84085
ChEBI Name2-(acetylamino)-4-methylphenyl acetate
Stars
DefinitionAn acetate ester that is phenyl acetate substituted by an acetylamino group at position 2 and a methyl group at position 4.
Last Modified3 April 2018
Submitternamrata
DownloadsMolfile
FormulaC11H13NO3
Net Charge0
Average Mass207.229
Monoisotopic Mass207.08954
SMILESCC(=O)Nc1cc(C)ccc1OC(C)=O
InChIInChI=1S/C11H13NO3/c1-7-4-5-11(15-9(3)14)10(6-7)12-8(2)13/h4-6H,1-3H3,(H,12,13)
InChIKeyGPJFMEZBKSINFK-UHFFFAOYSA-N
Roles Classification
Biological Role:
human urinary metabolite  Any metabolite (endogenous or exogenous) found in human urine samples.
ChEBI Ontology
Outgoing Relation(s)
2-(acetylamino)-4-methylphenyl acetate (CHEBI:84085) has role human urinary metabolite (CHEBI:84087)
2-(acetylamino)-4-methylphenyl acetate (CHEBI:84085) is a acetamides (CHEBI:22160)
2-(acetylamino)-4-methylphenyl acetate (CHEBI:84085) is a phenyl acetates (CHEBI:140310)
2-(acetylamino)-4-methylphenyl acetate (CHEBI:84085) is a toluenes (CHEBI:27024)
IUPAC Name 
2-(acetylamino)-4-methylphenyl acetate
Synonyms  Source
2-acetamido-4-methylphenyl acetateChEBI
(2-acetamido-4-methylphenyl)acetateChEBI
Registry NumbersSources
Reaxys:3287935Reaxys