Molecule ID: 5372065

IUPAC Name: (E)-7-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)hept-2-enamide

Description: The molecule is an enamide that is (2E)-N-isobutylhept-2-enamide which is substituted at position 7 by a 3,4-methylenedioxyphenyl group. A natural product found in Piper sarmentosum. It has a role as a metabolite, an apoptosis inducer and a plant metabolite. It is an alkaloid, a member of benzodioxoles, an enamide and a secondary carboxamide. It derives from a 2-methylpropanamine.

SMILES: CC(C)CN=C(O)/C=C/CCCCc1ccc2c(c1)OCO2

SELFIES: [C][C][Branch1][C][C][C][N][=C][Branch1][C][O][/C][=C][/C][C][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1]

InChI: InChI=1S/C18H25NO3/c1-14(2)12-19-18(20)8-6-4-3-5-7-15-9-10-16-17(11-15)22-13-21-16/h6,8-11,14H,3-5,7,12-13H2,1-2H3,(H,19,20)/b8-6+

Molecular Properties:
- Polar Surface Area: 47.6 Ų
- LogP: 4.6