Molecule ID: 5411

IUPAC Name: 2-(dimethylamino)ethyl 4-(butylamino)benzoate

Description: The molecule is a benzoate ester in which 4-N-butylbenzoic acid and 2-(dimethylamino)ethanol have combined to form the ester bond; a local ester anaesthetic (ester caine) used for surface and spinal anaesthesia. It has a role as a local anaesthetic. It is a benzoate ester and a tertiary amino compound.

SMILES: CCCCNc1ccc(C(=O)OCCN(C)C)cc1

SELFIES: [C][C][C][C][N][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][O][C][C][N][Branch1][C][C][C][C][=C][Ring1][=C]

InChI: InChI=1S/C15H24N2O2/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3/h6-9,16H,4-5,10-12H2,1-3H3

Molecular Properties:
- Polar Surface Area: 41.6 Ų
- LogP: 3.7