[2-Oxo-2-(2-phenylethylamino)ethyl] 4-(4-chlorophenyl)-4-oxobutanoate
Basic information
- CAS
733043-29-3- Standard SMILES
O=C(COC(=O)CCC(=O)c1ccc(Cl)cc1)NCCc1ccccc1- InChIKey
OOLLSITXOAEXAI-UHFFFAOYSA-N- Molecular formula
- C20H20ClNO4
- Average molar mass
- 373.8 g/mol
- Monoisotopic mass
- 373.1080858
Names & identifiers
- Preferred name
- [2-Oxo-2-(2-phenylethylamino)ethyl] 4-(4-chlorophenyl)-4-oxobutanoate
- IUPAC
- [2-oxo-2-(2-phenylethylamino)ethyl] 4-(4-chlorophenyl)-4-oxobutanoate
Names & synonyms
MLS001033361CHEMBL1557177DTXSID801328635HMS2676B20[2-oxo-2-(2-phenylethylamino)ethyl] 4-(4-chlorophenyl)-4-oxobutanoateAKOS033620218733043-29-3SMR000363882Z184299222-Oxo-2-[(2-phenylethyl)amino]ethyl 4-(4-chlorophenyl)-4-oxobutanoate
Database identifiers
- CAS
733043-29-3- PubChem CID
- 2436445
- DTXSID
DTXSID801328635- ChEMBL
CHEMBL1557177
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 72.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 468
Experimental & physicochemical properties
Solubility5.7 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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