ChemSpider 2D Image | N-(2-Amino-4-{[(4-cyanophenyl)carbamoyl]amino}-5-hydroxyphenyl)-2-[2,4-bis(2-methyl-2-butanyl)phenoxy]hexanamide | C36H47N5O4

N-(2-Amino-4-{[(4-cyanophenyl)carbamoyl]amino}-5-hydroxyphenyl)-2-[2,4-bis(2-methyl-2-butanyl)phenoxy]hexanamide

  • Molecular FormulaC36H47N5O4
  • Average mass613.789 Da
  • Monoisotopic mass613.362793 Da
  • ChemSpider ID2288889

More details:

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

298-219-1 [EINECS]
93783-13-2 [RN]
Hexanamide, N-[2-amino-4-[[[(4-cyanophenyl)amino]carbonyl]amino]-5-hydroxyphenyl]-2-[2,4-bis(1,1-dimethylpropyl)phenoxy]- [ACD/Index Name]
N-(2-Amino-4-{[(4-cyanophenyl)carbamoyl]amino}-5-hydroxyphenyl)-2-[2,4-bis(2-methyl-2-butanyl)phenoxy]hexanamide [ACD/IUPAC Name]
N-(2-Amino-4-{[(4-cyanophényl)carbamoyl]amino}-5-hydroxyphényl)-2-[2,4-bis(2-méthyl-2-butanyl)phénoxy]hexanamide [French] [ACD/IUPAC Name]
N-(2-Amino-4-{[(4-cyanphenyl)carbamoyl]amino}-5-hydroxyphenyl)-2-[2,4-bis(2-methyl-2-butanyl)phenoxy]hexanamid [German] [ACD/IUPAC Name]
N-[2-amino-4-[[[(4-cyanophenyl)amino]carbonyl]amino]-5-hydroxyphenyl]-2-[2,4-bis(1,1-dimethylpropyl)phenoxy]hexanamide
N-(2-Amino-4-((((4-cyanophenyl)amino)carbonyl)amino)-5-hydroxyphenyl)-2-(2,4-bis(1,1-dimethylpropyl)phenoxy)hexanamide
N-(2-Amino-4-{[(4-cyanophenyl)carbamoyl]amino}-5-hydroxyphenyl)-2-[2,4-bis(2-methylbutan-2-yl)phenoxy]hexanamide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 720.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.0±3.0 kJ/mol
Flash Point: 389.4±32.9 °C
Index of Refraction: 1.604
Molar Refractivity: 177.5±0.4 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 8.00
ACD/LogD (pH 5.5): 7.10
ACD/BCF (pH 5.5): 126902.96
ACD/KOC (pH 5.5): 130934.32
ACD/LogD (pH 7.4): 7.36
ACD/BCF (pH 7.4): 231027.75
ACD/KOC (pH 7.4): 238366.88
Polar Surface Area: 150 Å2
Polarizability: 70.4±0.5 10-24cm3
Surface Tension: 58.0±5.0 dyne/cm
Molar Volume: 515.9±5.0 cm3

Click to predict properties on the Chemicalize site


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