ChemSpider 2D Image | (2S,3E)-2-{[(2S)-2-Ethylhexanoyl](2-furylmethyl)amino}-N-(2,4,4-trimethyl-2-pentanyl)-3-heptenamide | C28H48N2O3

(2S,3E)-2-{[(2S)-2-Ethylhexanoyl](2-furylmethyl)amino}-N-(2,4,4-trimethyl-2-pentanyl)-3-heptenamide

  • Molecular FormulaC28H48N2O3
  • Average mass460.692 Da
  • Monoisotopic mass460.366486 Da
  • ChemSpider ID62653849

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3E)-2-{[(2S)-2-Ethylhexanoyl](2-furylmethyl)amino}-N-(2,4,4-trimethyl-2-pentanyl)-3-heptenamid [German] [ACD/IUPAC Name]
(2S,3E)-2-{[(2S)-2-Ethylhexanoyl](2-furylmethyl)amino}-N-(2,4,4-trimethyl-2-pentanyl)-3-heptenamide [ACD/IUPAC Name]
(2S,3E)-2-{[(2S)-2-Éthylhexanoyl](2-furylméthyl)amino}-N-(2,4,4-triméthyl-2-pentanyl)-3-hepténamide [French] [ACD/IUPAC Name]
3-Heptenamide, 2-[[(2S)-2-ethyl-1-oxohexyl](2-furanylmethyl)amino]-N-(1,1,3,3-tetramethylbutyl)-, (2S,3E)- [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: 589.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 87.9±3.0 kJ/mol
Flash Point: 310.1±30.1 °C
Index of Refraction: 1.492
Molar Refractivity: 137.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 7.77
ACD/LogD (pH 5.5): 6.80
ACD/BCF (pH 5.5): 86316.50
ACD/KOC (pH 5.5): 118805.16
ACD/LogD (pH 7.4): 6.80
ACD/BCF (pH 7.4): 86316.50
ACD/KOC (pH 7.4): 118805.16
Polar Surface Area: 63 Å2
Polarizability: 54.4±0.5 10-24cm3
Surface Tension: 34.8±3.0 dyne/cm
Molar Volume: 473.0±3.0 cm3

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