Basic information
- CAS
6335-21-3- Standard SMILES
CCOC(=O)C(Cc1ccc(N)cc1)(NC(C)=O)C(=O)OCC- InChIKey
OFJJAGIFUBPJCC-UHFFFAOYSA-N- Molecular formula
- C16H22N2O5
- Average molar mass
- 322.36 g/mol
- Monoisotopic mass
- 322.15287181
Names & identifiers
- Preferred name
- Diethyl(acetylamino)(4-aminobenzyl)propanedioate
- IUPAC
- diethyl 2-acetamido-2-[(4-aminophenyl)methyl]propanedioate
Names & synonyms
6335-21-3diethyl(acetylamino)(4-aminobenzyl)propanedioateNSC29453SCHEMBL6782409DTXSID50283048NSC-29453Diethyl acetamido[(4-aminophenyl)methyl]propanedioate
Database identifiers
- CAS
6335-21-3- PubChem CID
- 232196
- DTXSID
DTXSID50283048
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 412
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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