ChemSpider 2D Image | N-(2-{[4-(Dimethylamino)benzyl][2-(1H-indol-3-yl)ethyl]amino}-2-oxoethyl)-N-isobutyl-4-(2-methyl-2-propanyl)benzamide | C36H46N4O2

N-(2-{[4-(Dimethylamino)benzyl][2-(1H-indol-3-yl)ethyl]amino}-2-oxoethyl)-N-isobutyl-4-(2-methyl-2-propanyl)benzamide

  • Molecular FormulaC36H46N4O2
  • Average mass566.776 Da
  • Monoisotopic mass566.362061 Da
  • ChemSpider ID2863479

More details:

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

Benzamide, N-[2-[[[4-(dimethylamino)phenyl]methyl][2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-4-(1,1-dimethylethyl)-N-(2-methylpropyl)- [ACD/Index Name]
N-(2-{[4-(Dimethylamino)benzyl][2-(1H-indol-3-yl)ethyl]amino}-2-oxoethyl)-N-isobutyl-4-(2-methyl-2-propanyl)benzamid [German] [ACD/IUPAC Name]
N-(2-{[4-(Dimethylamino)benzyl][2-(1H-indol-3-yl)ethyl]amino}-2-oxoethyl)-N-isobutyl-4-(2-methyl-2-propanyl)benzamide [ACD/IUPAC Name]
N-(2-{[4-(Diméthylamino)benzyl][2-(1H-indol-3-yl)éthyl]amino}-2-oxoéthyl)-N-isobutyl-4-(2-méthyl-2-propanyl)benzamide [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: 757.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.3±3.0 kJ/mol
Flash Point: 411.7±32.9 °C
Index of Refraction: 1.611
Molar Refractivity: 174.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 6.84
ACD/LogD (pH 5.5): 6.28
ACD/BCF (pH 5.5): 33684.16
ACD/KOC (pH 5.5): 58025.00
ACD/LogD (pH 7.4): 6.34
ACD/BCF (pH 7.4): 39113.71
ACD/KOC (pH 7.4): 67378.04
Polar Surface Area: 60 Å2
Polarizability: 69.3±0.5 10-24cm3
Surface Tension: 47.6±3.0 dyne/cm
Molar Volume: 503.5±3.0 cm3

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