Basic information
- CAS
6329-92-6- Standard SMILES
CCOC(=O)C(Cc1cccc(NC(C)=O)c1)C(=O)OCC- InChIKey
XLFCZJVZAJMHTR-UHFFFAOYSA-N- Molecular formula
- C16H21NO5
- Average molar mass
- 307.34 g/mol
- Monoisotopic mass
- 307.14197277
Names & identifiers
- Preferred name
- Diethyl[3-(acetylamino)benzyl]propanedioate
- IUPAC
- diethyl 2-[(3-acetamidophenyl)methyl]propanedioate
Names & synonyms
6329-92-6diethyl[3-(acetylamino)benzyl]propanedioateNSC47102DTXSID00286726NSC-47102Diethyl [(3-acetamidophenyl)methyl]propanedioate
Database identifiers
- CAS
6329-92-6- PubChem CID
- 240671
- DTXSID
DTXSID00286726
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 81.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 378
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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