Alanine, N-benzoyl-N-(p-chlorophenyl)-2-methyl-, 2-(dimethylamino)ethyl ester

Substructure search Find similar structures

Basic information

CAS: 79592-88-4
Standard SMILES: CN(C)CCOC(=O)C(C)(C)N(C(=O)c1ccccc1)c1ccc(Cl)cc1
InChIKey: WKENMMMOLLOUAJ-UHFFFAOYSA-N
Molecular formula: C21H25ClN2O3
Average molar mass: 388.9 g/mol
Monoisotopic mass: 388.15537034

Names & identifiers

Preferred name: Alanine, N-benzoyl-N-(p-chlorophenyl)-2-methyl-, 2-(dimethylamino)ethyl ester
IUPAC: 2-(dimethylamino)ethyl 2-(N-benzoyl-4-chloroanilino)-2-methylpropanoate

Names & synonyms

ALANINE, N-BENZOYL-N-(p-CHLOROPHENYL)-2-METHYL-, 2-(DIMETHYLAMINO)ETHYL ESTERN-Benzoyl-N-(p-chlorophenyl)-2-methylalanine 2-(dimethylamino)ethyl ester79592-88-4DTXSID50229784RefChem:318014DTXCID001522752-(dimethylamino)ethyl N-benzoyl-N-(4-chlorophenyl)-2-methylalaninate

Database identifiers

CAS: 79592-88-4
PubChem CID: 54407
DTXSID: DTXSID50229784
Nikkaji: J74.943E

Properties

Computed structural properties

XLogP: 4.1
Topological polar surface area: 49.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 8
Heavy atoms: 27
Formal charge: 0
Complexity: 496

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…