ChemSpider 2D Image | 4-[2-(Cyclohexylamino)-2-oxoethyl]-N-(4-cyclohexylphenyl)-2,2-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide | C31H39N3O4

4-[2-(Cyclohexylamino)-2-oxoethyl]-N-(4-cyclohexylphenyl)-2,2-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide

  • Molecular FormulaC31H39N3O4
  • Average mass517.659 Da
  • Monoisotopic mass517.294067 Da
  • ChemSpider ID2474064

More details:

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

4-[2-(Cyclohexylamino)-2-oxoethyl]-N-(4-cyclohexylphenyl)-2,2-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-carboxamid [German] [ACD/IUPAC Name]
4-[2-(Cyclohexylamino)-2-oxoethyl]-N-(4-cyclohexylphenyl)-2,2-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide [ACD/IUPAC Name]
4-[2-(Cyclohexylamino)-2-oxoéthyl]-N-(4-cyclohexylphényl)-2,2-diméthyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide [French] [ACD/IUPAC Name]
4H-1,4-Benzoxazine-4-acetamide, N-cyclohexyl-6-[[(4-cyclohexylphenyl)amino]carbonyl]-2,3-dihydro-2,2-dimethyl-3-oxo- [ACD/Index Name]

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

ASN 06577289 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 721.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.4±3.0 kJ/mol
Flash Point: 390.3±32.9 °C
Index of Refraction: 1.614
Molar Refractivity: 146.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 6.45
ACD/LogD (pH 5.5): 4.70
ACD/BCF (pH 5.5): 2184.95
ACD/KOC (pH 5.5): 8550.05
ACD/LogD (pH 7.4): 4.70
ACD/BCF (pH 7.4): 2184.95
ACD/KOC (pH 7.4): 8550.05
Polar Surface Area: 88 Å2
Polarizability: 58.1±0.5 10-24cm3
Surface Tension: 57.1±5.0 dyne/cm
Molar Volume: 420.6±5.0 cm3

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