3-oxo-N-phenylhexanamide
Basic information
- CAS
16682-98-7- Standard SMILES
CCCC(=O)CC(=O)Nc1ccccc1- InChIKey
NMKOPQKZWILKQU-UHFFFAOYSA-N- Molecular formula
- C12H15NO2
- Average molar mass
- 205.25 g/mol
- Monoisotopic mass
- 205.11027872
Names & identifiers
- Preferred name
- 3-oxo-N-phenylhexanamide
- IUPAC
- 3-oxo-N-phenylhexanamide
Names & synonyms
3-oxo-N-phenylhexanamide16682-98-73-oxo-N-phenyl hexanamideNSC360694SCHEMBL1114242DTXSID40320532NMKOPQKZWILKQU-UHFFFAOYSA-NNSC-360694
Database identifiers
- CAS
16682-98-7- PubChem CID
- 338435
- DTXSID
DTXSID40320532
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 46.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 220
Related reactions
2 records
Compound notes
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