ChemSpider 2D Image | (2E)-N-[(E)-2-{4-[(3-Methyl-2-buten-1-yl)oxy]phenyl}vinyl]-3-phenylacrylamide | C22H23NO2

(2E)-N-[(E)-2-{4-[(3-Methyl-2-buten-1-yl)oxy]phenyl}vinyl]-3-phenylacrylamide

  • Molecular FormulaC22H23NO2
  • Average mass333.423 Da
  • Monoisotopic mass333.172882 Da
  • ChemSpider ID24704360

  • Double-bond stereo - Double-bond stereo

More details:

Featured data source
Natural Product Updates

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2E)-N-[(E)-2-{4-[(3-Methyl-2-buten-1-yl)oxy]phenyl}vinyl]-3-phenylacrylamid [German] [ACD/IUPAC Name]
(2E)-N-[(E)-2-{4-[(3-Methyl-2-buten-1-yl)oxy]phenyl}vinyl]-3-phenylacrylamide [ACD/IUPAC Name]
(2E)-N-[(E)-2-{4-[(3-Méthyl-2-butén-1-yl)oxy]phényl}vinyl]-3-phénylacrylamide [French] [ACD/IUPAC Name]
2-Propenamide, N-[(E)-2-[4-[(3-methyl-2-buten-1-yl)oxy]phenyl]ethenyl]-3-phenyl-, (2E)- [ACD/Index Name]
anhydromarmeline
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL490179/

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 565.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.0±3.0 kJ/mol
Flash Point: 296.0±30.1 °C
Index of Refraction: 1.614
Molar Refractivity: 106.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.10
ACD/LogD (pH 5.5): 4.57
ACD/BCF (pH 5.5): 1764.00
ACD/KOC (pH 5.5): 7335.69
ACD/LogD (pH 7.4): 4.57
ACD/BCF (pH 7.4): 1764.00
ACD/KOC (pH 7.4): 7335.68
Polar Surface Area: 38 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 42.9±3.0 dyne/cm
Molar Volume: 305.2±3.0 cm3

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