ChemSpider 2D Image | N-(2-{[1-(2-Methylphenyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)-N-(2-phenylethyl)heptanamide | C31H42N4O2

N-(2-{[1-(2-Methylphenyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)-N-(2-phenylethyl)heptanamide

  • Molecular FormulaC31H42N4O2
  • Average mass502.691 Da
  • Monoisotopic mass502.330780 Da
  • ChemSpider ID3136455

More details:

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

Heptanamide, N-[2-[[3-(1,1-dimethylethyl)-1-(2-methylphenyl)-1H-pyrazol-5-yl]amino]-2-oxoethyl]-N-(2-phenylethyl)- [ACD/Index Name]
N-(2-{[1-(2-Methylphenyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)-N-(2-phenylethyl)heptanamid [German] [ACD/IUPAC Name]
N-(2-{[1-(2-Methylphenyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)-N-(2-phenylethyl)heptanamide [ACD/IUPAC Name]
N-(2-{[1-(2-Méthylphényl)-3-(2-méthyl-2-propanyl)-1H-pyrazol-5-yl]amino}-2-oxoéthyl)-N-(2-phényléthyl)heptanamide [French] [ACD/IUPAC 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: 684.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.4±3.0 kJ/mol
Flash Point: 367.9±31.5 °C
Index of Refraction: 1.562
Molar Refractivity: 153.1±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 7.92
ACD/LogD (pH 5.5): 7.20
ACD/BCF (pH 5.5): 174537.59
ACD/KOC (pH 5.5): 196658.45
ACD/LogD (pH 7.4): 7.20
ACD/BCF (pH 7.4): 174547.75
ACD/KOC (pH 7.4): 196669.89
Polar Surface Area: 67 Å2
Polarizability: 60.7±0.5 10-24cm3
Surface Tension: 39.5±7.0 dyne/cm
Molar Volume: 472.0±7.0 cm3

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