4-Methylphenyl 4-[(3-acetylphenyl)amino]-4-oxobutanoate
Basic information
- CAS
432001-46-2- Standard SMILES
CC(=O)c1cccc(NC(=O)CCC(=O)Oc2ccc(C)cc2)c1- InChIKey
IIKLBCXHIZWDEG-UHFFFAOYSA-N- Molecular formula
- C19H19NO4
- Average molar mass
- 325.4 g/mol
- Monoisotopic mass
- 325.13140809
Names & identifiers
- Preferred name
- 4-Methylphenyl 4-[(3-acetylphenyl)amino]-4-oxobutanoate
- IUPAC
- (4-methylphenyl) 4-(3-acetylanilino)-4-oxobutanoate
- English name
- 4-methylphenyl 4-[(3-acetylphenyl)amino]-4-oxobutanoate
- Molecular formula
- C19H19NO4
- Molecular weight
- 325.36
Names & synonyms
4-methylphenyl 4-[(3-acetylphenyl)amino]-4-oxobutanoate432001-46-24-Methylphenyl 4-((3-acetylphenyl)amino)-4-oxobutanoateRefChem:2946424-methylphenyl 4-(3-acetylanilino)-4-oxobutanoateMLS001196643(4-methylphenyl) 4-(3-acetylanilino)-4-oxobutanoateCHEMBL1868373DTXSID401203601HMS2872J09STK039012AKOS000490233
Show more names
Butanoic acid, 4-[(3-acetylphenyl)amino]-4-oxo-, 4-methylphenyl ester
SMR000556040ST039683AB00117299-01AN-329/40805551SR-01000492187SR-01000492187-14-methylphenyl 3-[N-(3-acetylphenyl)carbamoyl]propanoate4-METHYLPHENYL 3-[(3-ACETYLPHENYL)CARBAMOYL]PROPANOATE
Database identifiers
- CAS
432001-46-2- PubChem CID
- 729930
- DTXSID
DTXSID401203601- ChEMBL
CHEMBL1868373
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 72.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 454
Experimental & physicochemical properties
Solubility>48.8 [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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