ChemSpider 2D Image | (2E)-N-{(1S)-1-(2,4-Dimethylphenyl)-2-oxo-2-[(2,4,4-trimethyl-2-pentanyl)amino]ethyl}-N-(2-methyl-2-propanyl)-2-octenamide | C30H50N2O2

(2E)-N-{(1S)-1-(2,4-Dimethylphenyl)-2-oxo-2-[(2,4,4-trimethyl-2-pentanyl)amino]ethyl}-N-(2-methyl-2-propanyl)-2-octenamide

  • Molecular FormulaC30H50N2O2
  • Average mass470.730 Da
  • Monoisotopic mass470.387238 Da
  • ChemSpider ID62422372

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2E)-N-{(1S)-1-(2,4-Dimethylphenyl)-2-oxo-2-[(2,4,4-trimethyl-2-pentanyl)amino]ethyl}-N-(2-methyl-2-propanyl)-2-octenamid [German] [ACD/IUPAC Name]
(2E)-N-{(1S)-1-(2,4-Dimethylphenyl)-2-oxo-2-[(2,4,4-trimethyl-2-pentanyl)amino]ethyl}-N-(2-methyl-2-propanyl)-2-octenamide [ACD/IUPAC Name]
(2E)-N-{(1S)-1-(2,4-Diméthylphényl)-2-oxo-2-[(2,4,4-triméthyl-2-pentanyl)amino]éthyl}-N-(2-méthyl-2-propanyl)-2-octénamide [French] [ACD/IUPAC Name]
Benzeneacetamide, α-[(1,1-dimethylethyl)[(2E)-1-oxo-2-octen-1-yl]amino]-2,4-dimethyl-N-(1,1,3,3-tetramethylbutyl)-, (αS)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 624.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.5±3.0 kJ/mol
Flash Point: 331.6±31.5 °C
Index of Refraction: 1.506
Molar Refractivity: 145.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 7.86
ACD/LogD (pH 5.5): 7.34
ACD/BCF (pH 5.5): 224437.14
ACD/KOC (pH 5.5): 235444.55
ACD/LogD (pH 7.4): 7.34
ACD/BCF (pH 7.4): 224437.14
ACD/KOC (pH 7.4): 235444.55
Polar Surface Area: 49 Å2
Polarizability: 57.7±0.5 10-24cm3
Surface Tension: 34.8±3.0 dyne/cm
Molar Volume: 489.8±3.0 cm3

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