Basic information
- CAS
2847-91-8- Standard SMILES
CCOC(=O)C(CCC(=O)c1ccccc1)(NC(C)=O)C(=O)OCC- InChIKey
QCAAZZVXOAEGNF-UHFFFAOYSA-N- Molecular formula
- C18H23NO6
- Average molar mass
- 349.4 g/mol
- Monoisotopic mass
- 349.15253745
Names & identifiers
- Preferred name
- Diethyl 2-acetamido-2-(3-oxo-3-phenylpropyl)malonate
- IUPAC
- diethyl 2-acetamido-2-(3-oxo-3-phenylpropyl)propanedioate
Names & synonyms
2847-91-8Diethyl 2-acetamido-2-(3-oxo-3-phenylpropyl)malonateNSC29456NSC-29456AKOS024324760
Database identifiers
- CAS
2847-91-8- PubChem CID
- 232198
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 98.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 478
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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