Benzyl 2-(((2-(dimethylamino)ethyl)(methyl)amino)carbonyl)-1-pyrrolidinecarboxylate
Basic information
- Standard SMILES
CN(C)CCN(C)C(=O)C1CCCN1C(=O)OCc1ccccc1- InChIKey
XKWKOEZNHAXFIU-UHFFFAOYSA-N- Molecular formula
- C18H27N3O3
- Average molar mass
- 333.4 g/mol
- Monoisotopic mass
- 333.20524173
Names & identifiers
- Preferred name
- Benzyl 2-(((2-(dimethylamino)ethyl)(methyl)amino)carbonyl)-1-pyrrolidinecarboxylate
- IUPAC
- benzyl 2-[2-(dimethylamino)ethyl-methylcarbamoyl]pyrrolidine-1-carboxylate
Names & synonyms
NSC652684Benzyl 2-(((2-(dimethylamino)ethyl)(methyl)amino)carbonyl)-1-pyrrolidinecarboxylateCHEMBL1998578benzyl 2-[2-dimethylaminoethyl(methyl)carbamoyl]pyrrolidine-1-carboxylateNSC-652684NCI60_018437
Database identifiers
- PubChem CID
- 374649
- ChEMBL
CHEMBL1998578
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 53.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 422
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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