Basic information
- CAS
6324-80-7- Standard SMILES
CCOC(=O)Nc1ccc(C(=O)/C=C/c2ccccc2)cc1- InChIKey
VOVUAZLJXBOTCE-MDWZMJQESA-N- Molecular formula
- C18H17NO3
- Average molar mass
- 295.3 g/mol
- Monoisotopic mass
- 295.1208434
Names & identifiers
- Preferred name
- ethyl N-[4-[(E)-3-phenylprop-2-enoyl]phenyl]carbamate
- IUPAC
- ethyl N-[4-[(E)-3-phenylprop-2-enoyl]phenyl]carbamate
Names & synonyms
MLS000737635NSC317036324-80-7CHEMBL1538850HMS2742K05NSC-31703SMR000393805
Database identifiers
- CAS
6324-80-7- PubChem CID
- 5774635
- ChEMBL
CHEMBL1538850
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 391
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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