beta-Alanine, N-(2-((4-ethoxybenzoyl)amino)-1-oxo-3-phenyl-2-propenyl)-, ethyl ester
Basic information
- CAS
172798-61-7- Standard SMILES
CCOC(=O)CCNC(=O)/C(=C/c1ccccc1)NC(=O)c1ccc(OCC)cc1- InChIKey
FWGADZIZUNJCAU-SILNSSARSA-N- Molecular formula
- C23H26N2O5
- Average molar mass
- 410.5 g/mol
- Monoisotopic mass
- 410.18417193
Names & identifiers
- Preferred name
- beta-Alanine, N-(2-((4-ethoxybenzoyl)amino)-1-oxo-3-phenyl-2-propenyl)-, ethyl ester
- IUPAC
- ethyl 3-[[(Z)-2-[(4-ethoxybenzoyl)amino]-3-phenylprop-2-enoyl]amino]propanoate
Names & synonyms
beta-Alanine, N-(2-((4-ethoxybenzoyl)amino)-1-oxo-3-phenyl-2-propenyl)-, ethyl ester172798-61-7RefChem:1079594N-(2-((4-Ethoxybenzoyl)amino)-1-oxo-3-phenyl-2-propenyl)beta-alanine ethyl ester
Database identifiers
- CAS
172798-61-7- PubChem CID
- 6449064
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 93.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 590
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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