ChemSpider 2D Image | 1-(2-Butoxybenzyl)-3-[3-({[(2-butoxybenzyl)carbamoyl]amino}methyl)-3,5,5-trimethylcyclohexyl]urea | C34H52N4O4

1-(2-Butoxybenzyl)-3-[3-({[(2-butoxybenzyl)carbamoyl]amino}methyl)-3,5,5-trimethylcyclohexyl]urea

  • Molecular FormulaC34H52N4O4
  • Average mass580.801 Da
  • Monoisotopic mass580.398865 Da
  • ChemSpider ID68783276

More details:

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

1-(2-Butoxybenzyl)-3-[3-({[(2-butoxybenzyl)carbamoyl]amino}methyl)-3,5,5-trimethylcyclohexyl]harnstoff [German] [ACD/IUPAC Name]
1-(2-Butoxybenzyl)-3-[3-({[(2-butoxybenzyl)carbamoyl]amino}methyl)-3,5,5-trimethylcyclohexyl]urea [ACD/IUPAC Name]
1-(2-Butoxybenzyl)-3-[3-({[(2-butoxybenzyl)carbamoyl]amino}méthyl)-3,5,5-triméthylcyclohexyl]urée [French] [ACD/IUPAC Name]
Urea, N-[(2-butoxyphenyl)methyl]-N'-[3-[[[[[(2-butoxyphenyl)methyl]amino]carbonyl]amino]methyl]-3,5,5-trimethylcyclohexyl]- [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: 761.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 110.9±3.0 kJ/mol
Flash Point: 414.1±31.5 °C
Index of Refraction: 1.560
Molar Refractivity: 169.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 7.55
ACD/LogD (pH 5.5): 6.67
ACD/BCF (pH 5.5): 68989.77
ACD/KOC (pH 5.5): 101200.52
ACD/LogD (pH 7.4): 6.67
ACD/BCF (pH 7.4): 68988.94
ACD/KOC (pH 7.4): 101199.30
Polar Surface Area: 101 Å2
Polarizability: 67.2±0.5 10-24cm3
Surface Tension: 48.1±5.0 dyne/cm
Molar Volume: 524.3±5.0 cm3

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