Molecule ID: 688020

IUPAC Name: (E)-N-ethyl-N-(2-methylphenyl)but-2-enamide

Description: The molecule is an enamide resulting from the formal condensation of crotonic acid with N-ethyl-2-methylaniline. A colourless or pale yellow oily liquid, it is used in the treatment of pruritus (itching) by producing a counter-irritation: as it evaporates from the skin, it produces a cooling effect that diverts attention away from the itching. It has also been used as an acaricide in the treatment of scabies, though more effective drugs are usually preferred. It has a role as an antipruritic drug and a scabicide. It is an enamide and a tertiary carboxamide.

SMILES: C/C=C/C(=O)N(CC)c1ccccc1C

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

InChI: InChI=1S/C13H17NO/c1-4-8-13(15)14(5-2)12-10-7-6-9-11(12)3/h4,6-10H,5H2,1-3H3/b8-4+

Molecular Properties:
- Polar Surface Area: 20.3 Ų
- LogP: 2.8