Basic information
- Standard SMILES
COC(=O)CCCc1ccccc1NC(C)=O- InChIKey
KSOWJSMIZSDJNS-UHFFFAOYSA-N- Molecular formula
- C13H17NO3
- Average molar mass
- 235.28 g/mol
- Monoisotopic mass
- 235.1208434
Names & identifiers
- Preferred name
- Methyl 4-(2-acetylaminophenyl)butanoate
- IUPAC
- methyl 4-(2-acetamidophenyl)butanoate
Names & synonyms
SCHEMBL5582624KSOWJSMIZSDJNS-UHFFFAOYSA-Nmethyl 4-(2-acetylaminophenyl)butanoate
Database identifiers
- PubChem CID
- 21939908
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 265
Related reactions
2 records
Compound notes
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