Basic information
- CAS
571154-81-9- Standard SMILES
CCc1ccc(NC(=O)CCC(=O)c2ccccc2)cc1- InChIKey
ZNHPUCRSOIGSMH-UHFFFAOYSA-N- Molecular formula
- C18H19NO2
- Average molar mass
- 281.3 g/mol
- Monoisotopic mass
- 281.14157885
Names & identifiers
- Preferred name
- N-(4-ethylphenyl)-4-oxo-4-phenylbutanamide
- IUPAC
- N-(4-ethylphenyl)-4-oxo-4-phenylbutanamide
Names & synonyms
N-(4-ethylphenyl)-4-oxo-4-phenylbutanamideEnamine_005539MLS001176124CHEMBL1371267DTXSID801329821HMS1409L17HMS2875N09AKOS034146555571154-81-9SMR000589236Z30916637
Database identifiers
- CAS
571154-81-9- PubChem CID
- 2439902
- DTXSID
DTXSID801329821- ChEMBL
CHEMBL1371267
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 46.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 339
Experimental & physicochemical properties
Solubility7.5 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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