Basic information
- Standard SMILES
CCOC(=O)C(C)(Cc1ccc(N)cc1)C(=O)OCC- InChIKey
LWEVPLUFKZRFIV-UHFFFAOYSA-N- Molecular formula
- C15H21NO4
- Average molar mass
- 279.33 g/mol
Names & identifiers
- Preferred name
- Diethyl methyl-(4-amino)benzylmalonate
- IUPAC
- diethyl 2-[(4-aminophenyl)methyl]-2-methylpropanedioate
Names & synonyms
SCHEMBL2370973LWEVPLUFKZRFIV-UHFFFAOYSA-Ndiethyl methyl-(4-amino)benzylmalonatediethyl 2-(4-aminobenzyl)-2-methylmalonate
Database identifiers
- PubChem CID
- 54055855
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 78.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 317
Related reactions
6 records
Compound notes
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