ChemSpider 2D Image | Methyl N-benzyl-N-[1-benzyl-4-(cyclohexylcarbamoyl)-4-piperidinyl]-N~2~-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-alpha-asparaginate | C36H50N4O6

Methyl N-benzyl-N-[1-benzyl-4-(cyclohexylcarbamoyl)-4-piperidinyl]-N2-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-α-asparaginate

  • Molecular FormulaC36H50N4O6
  • Average mass634.805 Da
  • Monoisotopic mass634.373047 Da
  • ChemSpider ID34219861

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

L-α-Asparagine, N-[4-[(cyclohexylamino)carbonyl]-1-(phenylmethyl)-4-piperidinyl]-N2-[(1,1-dimethylethoxy)carbonyl]-N-(phenylmethyl)-, methyl ester [ACD/Index Name]
Methyl N-benzyl-N-[1-benzyl-4-(cyclohexylcarbamoyl)-4-piperidinyl]-N2-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-α-asparaginate [ACD/IUPAC Name]
Methyl-N-benzyl-N-[1-benzyl-4-(cyclohexylcarbamoyl)-4-piperidinyl]-N2-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-α-asparaginat [German] [ACD/IUPAC Name]
N-Benzyl-N-[1-benzyl-4-(cyclohexylcarbamoyl)-4-pipéridinyl]-N2-{[(2-méthyl-2-propanyl)oxy]carbonyl}-L-α-asparaginate de méthyle [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 804.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 117.0±3.0 kJ/mol
Flash Point: 440.3±34.3 °C
Index of Refraction: 1.584
Molar Refractivity: 177.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 6.58
ACD/LogD (pH 5.5): 4.33
ACD/BCF (pH 5.5): 664.47
ACD/KOC (pH 5.5): 1893.26
ACD/LogD (pH 7.4): 5.29
ACD/BCF (pH 7.4): 5976.19
ACD/KOC (pH 7.4): 17027.83
Polar Surface Area: 117 Å2
Polarizability: 70.4±0.5 10-24cm3
Surface Tension: 54.3±5.0 dyne/cm
Molar Volume: 530.2±5.0 cm3

Click to predict properties on the Chemicalize site


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