ChemSpider 2D Image | trans-N-Isobutyl-4-[({[(3-methyl-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-1-yl)oxy]acetyl}amino)methyl]cyclohexanecarboxamide | C28H38N2O5

trans-N-Isobutyl-4-[({[(3-methyl-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-1-yl)oxy]acetyl}amino)methyl]cyclohexanecarboxamide

  • Molecular FormulaC28H38N2O5
  • Average mass482.612 Da
  • Monoisotopic mass482.278076 Da
  • ChemSpider ID21529288

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Cyclohexanecarboxamide, N-(2-methylpropyl)-4-[[[2-[(7,8,9,10-tetrahydro-3-methyl-6-oxo-6H-dibenzo[b,d]pyran-1-yl)oxy]acetyl]amino]methyl]-, trans- [ACD/Index Name]
trans-N-Isobutyl-4-[({[(3-methyl-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-1-yl)oxy]acetyl}amino)methyl]cyclohexancarboxamid [German] [ACD/IUPAC Name]
trans-N-Isobutyl-4-[({[(3-methyl-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-1-yl)oxy]acetyl}amino)methyl]cyclohexanecarboxamide [ACD/IUPAC Name]
trans-N-Isobutyl-4-[({2-[(3-méthyl-6-oxo-7,8,9,10-tétrahydro-6H-benzo[c]chromén-1-yl)oxy]acétyl}amino)méthyl]cyclohexanecarboxamide [French] [ACD/IUPAC Name]
1212256-88-6 [RN]
trans-4-[({[(3-methyl-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-1-yl)oxy]acetyl}amino)methyl]-N-(2-methylpropyl)cyclohexanecarboxamide

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 772.2±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.6 mmHg at 25°C
    Enthalpy of Vaporization: 112.4±3.0 kJ/mol
    Flash Point: 420.8±32.9 °C
    Index of Refraction: 1.573
    Molar Refractivity: 133.0±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 0
    ACD/LogP: 4.43
    ACD/LogD (pH 5.5): 4.58
    ACD/BCF (pH 5.5): 1783.37
    ACD/KOC (pH 5.5): 7393.26
    ACD/LogD (pH 7.4): 4.58
    ACD/BCF (pH 7.4): 1783.37
    ACD/KOC (pH 7.4): 7393.27
    Polar Surface Area: 94 Å2
    Polarizability: 52.7±0.5 10-24cm3
    Surface Tension: 51.0±5.0 dyne/cm
    Molar Volume: 403.4±5.0 cm3

    Click to predict properties on the Chemicalize site


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