ChemSpider 2D Image | (2E)-N-(2-{[1-(2-Methylphenyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)-3-(4-nitrophenyl)-N-(2-phenylethyl)acrylamide | C33H35N5O4

(2E)-N-(2-{[1-(2-Methylphenyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)-3-(4-nitrophenyl)-N-(2-phenylethyl)acrylamide

  • Molecular FormulaC33H35N5O4
  • Average mass565.662 Da
  • Monoisotopic mass565.268921 Da
  • ChemSpider ID22803748

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-N-(2-{[1-(2-Methylphenyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)-3-(4-nitrophenyl)-N-(2-phenylethyl)acrylamid [German] [ACD/IUPAC Name]
(2E)-N-(2-{[1-(2-Methylphenyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)-3-(4-nitrophenyl)-N-(2-phenylethyl)acrylamide [ACD/IUPAC Name]
(2E)-N-(2-{[1-(2-Méthylphényl)-3-(2-méthyl-2-propanyl)-1H-pyrazol-5-yl]amino}-2-oxoéthyl)-3-(4-nitrophényl)-N-(2-phényléthyl)acrylamide [French] [ACD/IUPAC Name]
2-Propenamide, N-[2-[[3-(1,1-dimethylethyl)-1-(2-methylphenyl)-1H-pyrazol-5-yl]amino]-2-oxoethyl]-3-(4-nitrophenyl)-N-(2-phenylethyl)-, (2E)- [ACD/Index Name]
(E)-N1-(2-{[3-(tert-butyl)-1-(2-methylphenyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)-3-(4-nitrophenyl)-N1-phenethyl-2-propenamide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 786.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.5±3.0 kJ/mol
Flash Point: 429.7±32.9 °C
Index of Refraction: 1.604
Molar Refractivity: 165.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 7.33
ACD/LogD (pH 5.5): 5.87
ACD/BCF (pH 5.5): 16993.63
ACD/KOC (pH 5.5): 37120.92
ACD/LogD (pH 7.4): 5.87
ACD/BCF (pH 7.4): 16994.49
ACD/KOC (pH 7.4): 37122.79
Polar Surface Area: 113 Å2
Polarizability: 65.7±0.5 10-24cm3
Surface Tension: 46.7±7.0 dyne/cm
Molar Volume: 481.6±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement