Basic information
- Standard SMILES
CCOC(=O)Oc1ccc(C=CC(=O)NC2CCCNC(=O)C2)cc1- InChIKey
GTLZSAIBQDTHJC-UHFFFAOYSA-N- Molecular formula
- C18H22N2O5
- Average molar mass
- 346.4 g/mol
- Monoisotopic mass
- 346.15287181
Names & identifiers
- Preferred name
- 3-(4-Ethoxycarbonyloxycinnamoyl)amino-epsilon-caprolactam
- IUPAC
- ethyl [4-[3-oxo-3-[(2-oxoazepan-4-yl)amino]prop-1-enyl]phenyl] carbonate
Names & synonyms
SCHEMBL8314714GTLZSAIBQDTHJC-UHFFFAOYSA-N3-(4-Ethoxycarbonyloxycinnamoyl)amino-epsilon-caprolactam
Database identifiers
- PubChem CID
- 53856471
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 93.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 498
Related reactions
3 records
Compound notes
Loading…