ChemSpider 2D Image | 4-(2-Methyl-2-propanyl)cyclohexyl [(2-{[(2,4,4-trimethyl-2-pentanyl)carbamoyl]amino}-3-pyridinyl)oxy]acetate | C26H43N3O4

4-(2-Methyl-2-propanyl)cyclohexyl [(2-{[(2,4,4-trimethyl-2-pentanyl)carbamoyl]amino}-3-pyridinyl)oxy]acetate

  • Molecular FormulaC26H43N3O4
  • Average mass461.637 Da
  • Monoisotopic mass461.325348 Da
  • ChemSpider ID66161996

More details:

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

[(2-{[(2,4,4-Triméthyl-2-pentanyl)carbamoyl]amino}-3-pyridinyl)oxy]acétate de 4-(2-méthyl-2-propanyl)cyclohexyle [French] [ACD/IUPAC Name]
4-(2-Methyl-2-propanyl)cyclohexyl [(2-{[(2,4,4-trimethyl-2-pentanyl)carbamoyl]amino}-3-pyridinyl)oxy]acetate [ACD/IUPAC Name]
4-(2-Methyl-2-propanyl)cyclohexyl-[(2-{[(2,4,4-trimethyl-2-pentanyl)carbamoyl]amino}-3-pyridinyl)oxy]acetat [German] [ACD/IUPAC Name]
Acetic acid, 2-[[2-[[[(1,1,3,3-tetramethylbutyl)amino]carbonyl]amino]-3-pyridinyl]oxy]-, 4-(1,1-dimethylethyl)cyclohexyl 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: 544.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.3±3.0 kJ/mol
Flash Point: 282.8±30.1 °C
Index of Refraction: 1.521
Molar Refractivity: 130.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 6.13
ACD/LogD (pH 5.5): 6.23
ACD/BCF (pH 5.5): 31445.96
ACD/KOC (pH 5.5): 56818.39
ACD/LogD (pH 7.4): 6.25
ACD/BCF (pH 7.4): 33109.84
ACD/KOC (pH 7.4): 59824.79
Polar Surface Area: 90 Å2
Polarizability: 51.8±0.5 10-24cm3
Surface Tension: 43.3±5.0 dyne/cm
Molar Volume: 429.5±5.0 cm3

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