Basic information
- Standard SMILES
CCOC(=O)C=C(C)c1ccc(CCNC=O)cc1- InChIKey
LHORDFHQQMRXOQ-UHFFFAOYSA-N- Molecular formula
- C15H19NO3
- Average molar mass
- 261.32 g/mol
Names & identifiers
- Preferred name
- Ethyl 3-[4-(2-formamidoethyl)phenyl]but-2-enoate
- IUPAC
- ethyl 3-[4-(2-formamidoethyl)phenyl]but-2-enoate
Names & synonyms
SCHEMBL11165250
Database identifiers
- PubChem CID
- 54033919
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 317
Related reactions
1 records
Compound notes
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