ChemSpider 2D Image | (4R)-4-Cyano-4-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N,5-dimethylhexanamide | C27H36N2O5

(4R)-4-Cyano-4-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N,5-dimethylhexanamide

  • Molecular FormulaC27H36N2O5
  • Average mass468.585 Da
  • Monoisotopic mass468.262421 Da
  • ChemSpider ID76920546

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4R)-4-Cyan-4-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N,5-dimethylhexanamid [German] [ACD/IUPAC Name]
(4R)-4-Cyano-4-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N,5-dimethylhexanamide [ACD/IUPAC Name]
(4R)-4-Cyano-4-(3,4-diméthoxyphényl)-N-[2-(3,4-diméthoxyphényl)éthyl]-N,5-diméthylhexanamide [French] [ACD/IUPAC Name]
Benzenebutanamide, γ-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dimethoxy-N-methyl-γ-(1-methylethyl)-, (γR)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 617.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.6±3.0 kJ/mol
Flash Point: 327.3±31.5 °C
Index of Refraction: 1.531
Molar Refractivity: 131.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 0
ACD/LogP: 3.89
ACD/LogD (pH 5.5): 3.77
ACD/BCF (pH 5.5): 428.70
ACD/KOC (pH 5.5): 2664.99
ACD/LogD (pH 7.4): 3.77
ACD/BCF (pH 7.4): 428.70
ACD/KOC (pH 7.4): 2664.99
Polar Surface Area: 81 Å2
Polarizability: 52.3±0.5 10-24cm3
Surface Tension: 39.5±3.0 dyne/cm
Molar Volume: 426.5±3.0 cm3

Click to predict properties on the Chemicalize site


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