Basic information
- CAS
89723-84-2- Standard SMILES
CCOC(=O)C(NC(=O)C=Cc1ccccc1)C(C)=O- InChIKey
BFPPTJUYWWJGKZ-UHFFFAOYSA-N- Molecular formula
- C15H17NO4
- Average molar mass
- 275.3 g/mol
- Monoisotopic mass
- 275.11575802
Names & identifiers
- Preferred name
- Ethyl 3-oxo-2-[(3-phenylacryloyl)amino]butanoate
- IUPAC
- ethyl 3-oxo-2-(3-phenylprop-2-enoylamino)butanoate
Names & synonyms
89723-84-2Ethyl 3-oxo-2-[(3-phenylacryloyl)amino]butanoateSCHEMBL10814392DTXSID70705898ethyl 2-cinnamoylaminoacetoacetateBFPPTJUYWWJGKZ-UHFFFAOYSA-NETHYL 3-OXO-2-(3-PHENYLPROP-2-ENAMIDO)BUTANOATE
Database identifiers
- CAS
89723-84-2- PubChem CID
- 53679532
- DTXSID
DTXSID70705898
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 72.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 383
Related reactions
3 records
Compound notes
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