ChemSpider 2D Image | (2R)-N-{(1S)-1-(2,4-Dimethylphenyl)-2-[(2-methyl-2-propanyl)amino]-2-oxoethyl}-2-ethyl-N-hexylhexanamide | C28H48N2O2

(2R)-N-{(1S)-1-(2,4-Dimethylphenyl)-2-[(2-methyl-2-propanyl)amino]-2-oxoethyl}-2-ethyl-N-hexylhexanamide

  • Molecular FormulaC28H48N2O2
  • Average mass444.693 Da
  • Monoisotopic mass444.371582 Da
  • ChemSpider ID62641857
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(2R)-N-{(1S)-1-(2,4-Dimethylphenyl)-2-[(2-methyl-2-propanyl)amino]-2-oxoethyl}-2-ethyl-N-hexylhexanamid [German] [ACD/IUPAC Name]
(2R)-N-{(1S)-1-(2,4-Dimethylphenyl)-2-[(2-methyl-2-propanyl)amino]-2-oxoethyl}-2-ethyl-N-hexylhexanamide [ACD/IUPAC Name]
(2R)-N-{(1S)-1-(2,4-Diméthylphényl)-2-[(2-méthyl-2-propanyl)amino]-2-oxoéthyl}-2-éthyl-N-hexylhexanamide [French] [ACD/IUPAC Name]
Benzeneacetamide, N-(1,1-dimethylethyl)-α-[[(2R)-2-ethyl-1-oxohexyl]hexylamino]-2,4-dimethyl-, (αS)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 595.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.7±3.0 kJ/mol
Flash Point: 313.8±30.1 °C
Index of Refraction: 1.499
Molar Refractivity: 136.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 7.73
ACD/LogD (pH 5.5): 7.32
ACD/BCF (pH 5.5): 215462.00
ACD/KOC (pH 5.5): 228666.42
ACD/LogD (pH 7.4): 7.32
ACD/BCF (pH 7.4): 215462.00
ACD/KOC (pH 7.4): 228666.42
Polar Surface Area: 49 Å2
Polarizability: 54.0±0.5 10-24cm3
Surface Tension: 35.4±3.0 dyne/cm
Molar Volume: 463.4±3.0 cm3

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