Basic information
- CAS
41242-36-8- Standard SMILES
COC(=O)CCC(=O)Nc1ccccc1C(C)=O- InChIKey
DAGKPVMCRDOMSU-UHFFFAOYSA-N- Molecular formula
- C13H15NO4
- Average molar mass
- 249.26 g/mol
- Monoisotopic mass
- 249.10010796
Names & identifiers
- Preferred name
- Butanoic acid, 4-((2-acetylphenyl)amino)-4-oxo-, methyl ester
- IUPAC
- methyl 4-(2-acetylanilino)-4-oxobutanoate
Names & synonyms
41242-36-8Butanoic acid, 4-((2-acetylphenyl)amino)-4-oxo-, methyl esterMethyl 4-((2-acetylphenyl)amino)-4-oxobutanoate(Carbomethoxy-3 propionamido)-2 acetophenone [French](Carbomethoxy-3 propionamido)-2 acetophenoneDTXSID30194168methyl 4-[(2-acetylphenyl)amino]-4-oxobutanoateNSC 146832RefChem:330814DTXCID40116659methyl 4-(2-acetylanilino)-4-oxobutanoateNSC146832
Show more names
NSC-146832
Database identifiers
- CAS
41242-36-8- PubChem CID
- 98548
- DTXSID
DTXSID30194168
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 72.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 327
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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