ChemSpider 2D Image | 1-[(1H-Benzotriazol-1-ylacetyl)(2-methylbenzyl)amino]-N-(4-methoxyphenyl)cyclohexanecarboxamide | C30H33N5O3

1-[(1H-Benzotriazol-1-ylacetyl)(2-methylbenzyl)amino]-N-(4-methoxyphenyl)cyclohexanecarboxamide

  • Molecular FormulaC30H33N5O3
  • Average mass511.615 Da
  • Monoisotopic mass511.258331 Da
  • ChemSpider ID2525899

More details:






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

1-(2-(1H-benzo[d][1,2,3]triazol-1-yl)-N-(2-methylbenzyl)acetamido)-N-(4-methoxyphenyl)cyclohexanecarboxamide
1-[(1H-Benzotriazol-1-ylacetyl)(2-methylbenzyl)amino]-N-(4-methoxyphenyl)cyclohexancarboxamid [German] [ACD/IUPAC Name]
1-[(1H-Benzotriazol-1-ylacetyl)(2-methylbenzyl)amino]-N-(4-methoxyphenyl)cyclohexanecarboxamide [ACD/IUPAC Name]
1-{[2-(1H-Benzotriazol-1-yl)acétyl](2-méthylbenzyl)amino}-N-(4-méthoxyphényl)cyclohexanecarboxamide [French] [ACD/IUPAC Name]
1H-1,2,3-Benzotriazole-1-acetamide, N-[1-[[(4-methoxyphenyl)amino]carbonyl]cyclohexyl]-N-[(2-methylphenyl)methyl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 771.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 112.3±3.0 kJ/mol
Flash Point: 420.2±32.9 °C
Index of Refraction: 1.638
Molar Refractivity: 148.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.72
ACD/LogD (pH 5.5): 4.43
ACD/BCF (pH 5.5): 1358.54
ACD/KOC (pH 5.5): 6084.66
ACD/LogD (pH 7.4): 4.43
ACD/BCF (pH 7.4): 1358.70
ACD/KOC (pH 7.4): 6085.40
Polar Surface Area: 89 Å2
Polarizability: 58.8±0.5 10-24cm3
Surface Tension: 49.9±7.0 dyne/cm
Molar Volume: 412.7±7.0 cm3

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