ChemSpider 2D Image | (2E)-N-[2-(5-Hydroxy-1H-indol-3-yl)ethyl]-3-{4-hydroxy-3-[(~2~H_3_)methyloxy]phenyl}acrylamide | C20H17D3N2O4

(2E)-N-[2-(5-Hydroxy-1H-indol-3-yl)ethyl]-3-{4-hydroxy-3-[(2H3)methyloxy]phenyl}acrylamide

  • Molecular FormulaC20H17D3N2O4
  • Average mass355.402 Da
  • Monoisotopic mass355.161133 Da
  • ChemSpider ID34559595
  • Double-bond stereo - Double-bond stereo

    Non-standard isotope - Non-standard isotope


More details:






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

(2E)-N-[2-(5-Hydroxy-1H-indol-3-yl)ethyl]-3-{4-hydroxy-3-[(2H3)methyloxy]phenyl}acrylamid [German] [ACD/IUPAC Name]
(2E)-N-[2-(5-Hydroxy-1H-indol-3-yl)ethyl]-3-{4-hydroxy-3-[(2H3)methyloxy]phenyl}acrylamide [ACD/IUPAC Name]
(2E)-N-[2-(5-Hydroxy-1H-indol-3-yl)éthyl]-3-{4-hydroxy-3-[(2H3)méthyloxy]phényl}acrylamide [French] [ACD/IUPAC Name]
2-Propenamide, N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-3-[4-hydroxy-3-(methyl-d3-oxy)phenyl]-, (2E)- [ACD/Index Name]
(E)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-3-[4-hydroxy-3-(trideuteriomethoxy)phenyl]prop-2-enamide
1795138-29-2 [RN]
N-Feruloylserotonin-d3

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 705.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.9±3.0 kJ/mol
Flash Point: 380.5±32.9 °C
Index of Refraction: 1.704
Molar Refractivity: 102.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.50
ACD/LogD (pH 5.5): 2.16
ACD/BCF (pH 5.5): 25.97
ACD/KOC (pH 5.5): 358.19
ACD/LogD (pH 7.4): 2.16
ACD/BCF (pH 7.4): 25.83
ACD/KOC (pH 7.4): 356.29
Polar Surface Area: 95 Å2
Polarizability: 40.5±0.5 10-24cm3
Surface Tension: 64.1±3.0 dyne/cm
Molar Volume: 263.4±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement