ChemSpider 2D Image | N-Benzyl-4-{[1-{2-[(2,6-dimethylphenyl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl]methyl}cyclohexanecarboxamide | C33H36N4O4

N-Benzyl-4-{[1-{2-[(2,6-dimethylphenyl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl]methyl}cyclohexanecarboxamide

  • Molecular FormulaC33H36N4O4
  • Average mass552.663 Da
  • Monoisotopic mass552.273682 Da
  • ChemSpider ID18393351

More details:

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

1(2H)-Quinazolineacetamide, N-(2,6-dimethylphenyl)-3,4-dihydro-2,4-dioxo-3-[[4-[[(phenylmethyl)amino]carbonyl]cyclohexyl]methyl]- [ACD/Index Name]
N-Benzyl-4-{[1-{2-[(2,6-dimethylphenyl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydro-3(2H)-chinazolinyl]methyl}cyclohexancarboxamid [German] [ACD/IUPAC Name]
N-Benzyl-4-{[1-{2-[(2,6-dimethylphenyl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl]methyl}cyclohexanecarboxamide [ACD/IUPAC Name]
N-Benzyl-4-{[1-{2-[(2,6-diméthylphényl)amino]-2-oxoéthyl}-2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl]méthyl}cyclohexanecarboxamide [French] [ACD/IUPAC Name]
N-benzyl-4-((1-(2-((2,6-dimethylphenyl)amino)-2-oxoethyl)-2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)methyl)cyclohexanecarboxamide

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.627
Molar Refractivity: 157.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.34
ACD/LogD (pH 5.5): 5.05
ACD/BCF (pH 5.5): 4034.06
ACD/KOC (pH 5.5): 13260.53
ACD/LogD (pH 7.4): 5.05
ACD/BCF (pH 7.4): 4034.80
ACD/KOC (pH 7.4): 13262.98
Polar Surface Area: 99 Å2
Polarizability: 62.3±0.5 10-24cm3
Surface Tension: 56.2±3.0 dyne/cm
Molar Volume: 443.3±3.0 cm3

Click to predict properties on the Chemicalize site


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