ChemSpider 2D Image | N-(2-Methylbenzyl)-N~2~-(3-methylbutyl)-N-{1-[(2E)-3-phenyl-2-propenoyl]-4-piperidinyl}-N~2~-(propylsulfonyl)glycinamide | C32H45N3O4S

N-(2-Methylbenzyl)-N2-(3-methylbutyl)-N-{1-[(2E)-3-phenyl-2-propenoyl]-4-piperidinyl}-N2-(propylsulfonyl)glycinamide

  • Molecular FormulaC32H45N3O4S
  • Average mass567.782 Da
  • Monoisotopic mass567.313049 Da
  • ChemSpider ID22841998

  • Double-bond stereo - Double-bond stereo

More details:

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

Acetamide, 2-[(3-methylbutyl)(propylsulfonyl)amino]-N-[(2-methylphenyl)methyl]-N-[1-[(2E)-1-oxo-3-phenyl-2-propen-1-yl]-4-piperidinyl]- [ACD/Index Name]
N-(2-Methylbenzyl)-N2-(3-methylbutyl)-N-{1-[(2E)-3-phenyl-2-propenoyl]-4-piperidinyl}-N2-(propylsulfonyl)glycinamid [German] [ACD/IUPAC Name]
N-(2-Methylbenzyl)-N2-(3-methylbutyl)-N-{1-[(2E)-3-phenyl-2-propenoyl]-4-piperidinyl}-N2-(propylsulfonyl)glycinamide [ACD/IUPAC Name]
N-(2-Méthylbenzyl)-N2-(3-méthylbutyl)-N-{1-[(2E)-3-phényl-2-propenoyl]-4-pipéridinyl}-N2-(propylsulfonyl)glycinamide [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: 747.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.0±3.0 kJ/mol
Flash Point: 406.0±35.7 °C
Index of Refraction: 1.590
Molar Refractivity: 162.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 6.35
ACD/LogD (pH 5.5): 5.01
ACD/BCF (pH 5.5): 3766.65
ACD/KOC (pH 5.5): 12625.92
ACD/LogD (pH 7.4): 5.01
ACD/BCF (pH 7.4): 3766.65
ACD/KOC (pH 7.4): 12625.92
Polar Surface Area: 86 Å2
Polarizability: 64.5±0.5 10-24cm3
Surface Tension: 53.0±5.0 dyne/cm
Molar Volume: 481.8±5.0 cm3

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