ChemSpider 2D Image | (2R)-2-Ethyl-N-{(2R)-3-ethyl-1-oxo-1-[(2,4,4-trimethyl-2-pentanyl)amino]-2-pentanyl}-N-(2-furylmethyl)hexanamide | C28H50N2O3

(2R)-2-Ethyl-N-{(2R)-3-ethyl-1-oxo-1-[(2,4,4-trimethyl-2-pentanyl)amino]-2-pentanyl}-N-(2-furylmethyl)hexanamide

  • Molecular FormulaC28H50N2O3
  • Average mass462.708 Da
  • Monoisotopic mass462.382141 Da
  • ChemSpider ID62573248

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R)-2-Ethyl-N-{(2R)-3-ethyl-1-oxo-1-[(2,4,4-trimethyl-2-pentanyl)amino]-2-pentanyl}-N-(2-furylmethyl)hexanamid [German] [ACD/IUPAC Name]
(2R)-2-Ethyl-N-{(2R)-3-ethyl-1-oxo-1-[(2,4,4-trimethyl-2-pentanyl)amino]-2-pentanyl}-N-(2-furylmethyl)hexanamide [ACD/IUPAC Name]
(2R)-2-Éthyl-N-{(2R)-3-éthyl-1-oxo-1-[(2,4,4-triméthyl-2-pentanyl)amino]-2-pentanyl}-N-(2-furylméthyl)hexanamide [French] [ACD/IUPAC Name]
Hexanamide, 2-ethyl-N-[(1R)-2-ethyl-1-[[(1,1,3,3-tetramethylbutyl)amino]carbonyl]butyl]-N-(2-furanylmethyl)-, (2R)- [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: 583.3±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.2±3.0 kJ/mol
Flash Point: 306.6±27.3 °C
Index of Refraction: 1.484
Molar Refractivity: 137.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 7.51
ACD/LogD (pH 5.5): 6.87
ACD/BCF (pH 5.5): 98034.79
ACD/KOC (pH 5.5): 130139.45
ACD/LogD (pH 7.4): 6.87
ACD/BCF (pH 7.4): 98034.79
ACD/KOC (pH 7.4): 130139.45
Polar Surface Area: 63 Å2
Polarizability: 54.4±0.5 10-24cm3
Surface Tension: 34.1±3.0 dyne/cm
Molar Volume: 479.7±3.0 cm3

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