Basic information
- Standard SMILES
O=C(O)CCC(=O)c1ccc(NC(=O)C=Cc2ccccc2)cc1- InChIKey
HCVAZKLYVSDQQV-UHFFFAOYSA-N- Molecular formula
- C19H17NO4
- Average molar mass
- 323.3 g/mol
Names & identifiers
- Preferred name
- 4-[4-(Cinnamoylamino)-phenyl]-4-oxo-butyric acid
- IUPAC
- 4-oxo-4-[4-(3-phenylprop-2-enoylamino)phenyl]butanoic acid
Names & synonyms
SCHEMBL6930427HCVAZKLYVSDQQV-UHFFFAOYSA-N4-[4-(cinnamoylamino)-phenyl]-4-oxo-butyric acid
Database identifiers
- PubChem CID
- 69940667
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 83.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 472
Related reactions
2 records
Compound notes
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