ChemSpider 2D Image | Ethyl N-{[1-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)cyclohexyl]methyl}glycinate | C16H30N2O4

Ethyl N-{[1-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)cyclohexyl]methyl}glycinate

  • Molecular FormulaC16H30N2O4
  • Average mass314.420 Da
  • Monoisotopic mass314.220551 Da
  • ChemSpider ID24750770

More details:

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

Ethyl N-{[1-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)cyclohexyl]methyl}glycinate [ACD/IUPAC Name]
Ethyl-N-{[1-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)cyclohexyl]methyl}glycinat [German] [ACD/IUPAC Name]
Glycine, N-[[1-[[(1,1-dimethylethoxy)carbonyl]amino]cyclohexyl]methyl]-, ethyl ester [ACD/Index Name]
N-{[1-({[(2-Méthyl-2-propanyl)oxy]carbonyl}amino)cyclohexyl]méthyl}glycinate d'éthyle [French] [ACD/IUPAC Name]
1253527-84-2 [RN]
atoms 22 bonds 22
ethyl 2-(((1-((tert-butoxycarbonyl)amino)cyclohexyl)methyl)amino)acetate
ethyl 2-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methylamino]acetate
ethyl 2-{[(1-{[(tert-butoxy)carbonyl]amino}cyclohexyl)methyl]amino}acetate
MFCD17676423

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 417.9±28.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 67.1±3.0 kJ/mol
    Flash Point: 206.5±24.0 °C
    Index of Refraction: 1.487
    Molar Refractivity: 85.1±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 0
    ACD/LogP: 3.27
    ACD/LogD (pH 5.5): 1.10
    ACD/BCF (pH 5.5): 1.37
    ACD/KOC (pH 5.5): 12.02
    ACD/LogD (pH 7.4): 2.72
    ACD/BCF (pH 7.4): 56.50
    ACD/KOC (pH 7.4): 496.58
    Polar Surface Area: 77 Å2
    Polarizability: 33.7±0.5 10-24cm3
    Surface Tension: 39.4±5.0 dyne/cm
    Molar Volume: 295.9±5.0 cm3

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