ChemSpider 2D Image | N-{2-[3-(4-Methoxyphenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3,3-dimethyl-N-[2-(4-morpholinyl)ethyl]butanamide | C31H42N4O4

N-{2-[3-(4-Methoxyphenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3,3-dimethyl-N-[2-(4-morpholinyl)ethyl]butanamide

  • Molecular FormulaC31H42N4O4
  • Average mass534.690 Da
  • Monoisotopic mass534.320618 Da
  • ChemSpider ID22602496

More details:

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

Butanamide, N-[2-[4,5-dihydro-3-(4-methoxyphenyl)-5-(4-methylphenyl)-1H-pyrazol-1-yl]-2-oxoethyl]-3,3-dimethyl-N-[2-(4-morpholinyl)ethyl]- [ACD/Index Name]
N-{2-[3-(4-Methoxyphenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3,3-dimethyl-N-[2-(4-morpholinyl)ethyl]butanamid [German] [ACD/IUPAC Name]
N-{2-[3-(4-Methoxyphenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3,3-dimethyl-N-[2-(4-morpholinyl)ethyl]butanamide [ACD/IUPAC Name]
N-{2-[3-(4-Méthoxyphényl)-5-(4-méthylphényl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoéthyl}-3,3-diméthyl-N-[2-(4-morpholinyl)éthyl]butanamide [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 676.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.4±3.0 kJ/mol
Flash Point: 363.1±34.3 °C
Index of Refraction: 1.582
Molar Refractivity: 154.2±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 3.09
ACD/LogD (pH 5.5): 2.77
ACD/BCF (pH 5.5): 47.67
ACD/KOC (pH 5.5): 321.11
ACD/LogD (pH 7.4): 3.57
ACD/BCF (pH 7.4): 301.21
ACD/KOC (pH 7.4): 2028.94
Polar Surface Area: 75 Å2
Polarizability: 61.1±0.5 10-24cm3
Surface Tension: 42.6±7.0 dyne/cm
Molar Volume: 462.5±7.0 cm3

Click to predict properties on the Chemicalize site


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