Molecule ID: 37497

IUPAC Name: N-(2,6-dimethylphenyl)-2-[ethyl(propyl)amino]butanamide

Description: The molecule is an amino acid amide in which 2-[ethyl(propyl)amino]butanoic acid and 2,6-dimethylaniline have combined to form the amide bond. Used as a local anaesthetic (amide caine), it has rapid onset and long action properties, similar to bupivacaine, and is given by injection during surgical procedures and during labour and delivery. It has a role as a local anaesthetic.

SMILES: CCCN(CC)C(CC)C(O)=Nc1c(C)cccc1C

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

InChI: InChI=1S/C17H28N2O/c1-6-12-19(8-3)15(7-2)17(20)18-16-13(4)10-9-11-14(16)5/h9-11,15H,6-8,12H2,1-5H3,(H,18,20)

Molecular Properties:
- Polar Surface Area: 32.299 Ų
- LogP: 3.7