2-Propenamide, 3-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)-, (2Z)-
Basic information
- CAS
495-86-3- Standard SMILES
CC(C)CNC(=O)/C=C\c1ccc2c(c1)OCO2- InChIKey
WKWYNAMJWDRHBP-XQRVVYSFSA-N- Molecular formula
- C14H17NO3
- Average molar mass
- 247.29 g/mol
- Monoisotopic mass
- 247.1208434
Overview
2-Propenamide, 3-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)-, (2Z)- has been reported in Zanthoxylum schinifolium and Zanthoxylum zanthoxyloides with data available.
Names & identifiers
- Preferred name
- 2-Propenamide, 3-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)-, (2Z)-
- IUPAC
- (Z)-3-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)prop-2-enamide
- English name
- Cinnamamide, N-isobutyl-3,4- (methylenedioxy)-
- Molecular formula
- C14H17NO3
- Molecular weight
- 247.29
Names & synonyms
2-Propenamide, 3-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)-, (2Z)-cis-FagaramideFagaramide, cis-UNII-C2UHL92KKPJ2Y2K5BPT3NSC 9425792449-51-93-(Benzo[d][1,3]dioxol-5-yl)-N-isobutylacrylamide(Z)-3-(1,3-benzodioxol-5-yl)-N-isobutyl-prop-2-enamideCinnamamide, N-isobutyl-3,4-(methylenedioxy)-, stereoisomer(2Z)-3-(1,3-Benzodioxol-5-yl)-N-(2-methylpropyl)-2-propenamide2-Propenamide, 3-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)-, (E)-
Show more names
trans-fagaramideCinnamamide, N-isobutyl-3,4- (methylenedioxy)-N-isobutyl-3-(3,4-methylenedioxyphenyl)-2E-trienamide2-Propenamide, 3-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)-, (2E)-
2-Propenamide, 3-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)-, (Z)-
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 314
Physicochemical properties
- Melting point
- 119.5 °C · 119.5 °C(Solv: ethyl acetate (141-78-6))
- Boiling point
- 441.4 · 441.4±45.0 °C(Predicted)
- Density
- 1.155 · 1.155±0.06 g/cm3(Predicted)
- pka
- 14.66 · 14.66±0.46(Predicted)
- FDA UNII
- 2 UHL92KKP · C2UHL92KKP
Chemistry & industry
Additional notes
DefinitionChEBI: Fagaramide is a member of cinnamamides and a secondary carboxamide.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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