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

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name 2-(acetylamino)-4-methylphenyl acetate ChEBI ID CHEBI:84085 Definition An acetate ester that is phenyl acetate substituted by an acetylamino group at position 2 and a methyl group at position 4. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C11H13NO3 Net Charge 0 Average Mass 207.22580 Monoisotopic Mass 207.08954 InChI InChI=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) InChIKey GPJFMEZBKSINFK-UHFFFAOYSA-N SMILES CC(=O)Nc1cc(C)ccc1OC(C)=O Roles Classification Biological Role(s): human urinary metabolite Any metabolite (endogenous or exogenous) found in human urine samples. View more via ChEBI Ontology ChEBI Ontology Outgoing 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 Sources (2-acetamido-4-methylphenyl)acetate ChEBI 2-acetamido-4-methylphenyl acetate ChEBI Registry Number Type Source 3287935 Reaxys Registry Number Reaxys Last Modified 03 April 2018