ChemSpider 2D Image | 2-Methyl-2-propanyl [2-([2-(adamantan-1-yl)ethyl]{[2-methyl-3-(4-pyridinyl)propyl]carbamoyl}amino)ethyl]methylcarbamate | C30H48N4O3

2-Methyl-2-propanyl [2-([2-(adamantan-1-yl)ethyl]{[2-methyl-3-(4-pyridinyl)propyl]carbamoyl}amino)ethyl]methylcarbamate

  • Molecular FormulaC30H48N4O3
  • Average mass512.727 Da
  • Monoisotopic mass512.372620 Da
  • ChemSpider ID8317911

More details:

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

[2-([2-(Adamantan-1-yl)éthyl]{[2-méthyl-3-(4-pyridinyl)propyl]carbamoyl}amino)éthyl]méthylcarbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [2-([2-(adamantan-1-yl)ethyl]{[2-methyl-3-(4-pyridinyl)propyl]carbamoyl}amino)ethyl]methylcarbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[2-([2-(adamantan-1-yl)ethyl]{[2-methyl-3-(4-pyridinyl)propyl]carbamoyl}amino)ethyl]methylcarbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-methyl-N-[2-[[[[2-methyl-3-(4-pyridinyl)propyl]amino]carbonyl](2-tricyclo[3.3.1.13,7]dec-1-ylethyl)amino]ethyl]-, 1,1-dimethylethyl ester [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 667.6±48.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.1±3.0 kJ/mol
Flash Point: 357.6±29.6 °C
Index of Refraction: 1.546
Molar Refractivity: 147.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 6.92
ACD/LogD (pH 5.5): 5.63
ACD/BCF (pH 5.5): 7958.97
ACD/KOC (pH 5.5): 14546.78
ACD/LogD (pH 7.4): 6.21
ACD/BCF (pH 7.4): 30653.61
ACD/KOC (pH 7.4): 56026.26
Polar Surface Area: 75 Å2
Polarizability: 58.3±0.5 10-24cm3
Surface Tension: 46.0±3.0 dyne/cm
Molar Volume: 464.6±3.0 cm3

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