ChemSpider 2D Image | N-[1-(3,3-Dimethylbutanoyl)-4-piperidinyl]-N~2~-(ethylsulfonyl)-N~2~-isobutyl-N-(4-methylbenzyl)glycinamide | C27H45N3O4S

N-[1-(3,3-Dimethylbutanoyl)-4-piperidinyl]-N2-(ethylsulfonyl)-N2-isobutyl-N-(4-methylbenzyl)glycinamide

  • Molecular FormulaC27H45N3O4S
  • Average mass507.729 Da
  • Monoisotopic mass507.313080 Da
  • ChemSpider ID22779413

More details:

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

Acetamide, N-[1-(3,3-dimethyl-1-oxobutyl)-4-piperidinyl]-2-[(ethylsulfonyl)(2-methylpropyl)amino]-N-[(4-methylphenyl)methyl]- [ACD/Index Name]
N-[1-(3,3-Dimethylbutanoyl)-4-piperidinyl]-N2-(ethylsulfonyl)-N2-isobutyl-N-(4-methylbenzyl)glycinamid [German] [ACD/IUPAC Name]
N-[1-(3,3-Dimethylbutanoyl)-4-piperidinyl]-N2-(ethylsulfonyl)-N2-isobutyl-N-(4-methylbenzyl)glycinamide [ACD/IUPAC Name]
N-[1-(3,3-Diméthylbutanoyl)-4-pipéridinyl]-N2-(éthylsulfonyl)-N2-isobutyl-N-(4-méthylbenzyl)glycinamide [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: 659.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.1±3.0 kJ/mol
Flash Point: 352.7±34.3 °C
Index of Refraction: 1.551
Molar Refractivity: 142.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 5.04
ACD/LogD (pH 5.5): 4.47
ACD/BCF (pH 5.5): 1482.33
ACD/KOC (pH 5.5): 6476.79
ACD/LogD (pH 7.4): 4.47
ACD/BCF (pH 7.4): 1482.33
ACD/KOC (pH 7.4): 6476.79
Polar Surface Area: 86 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 47.9±5.0 dyne/cm
Molar Volume: 446.7±5.0 cm3

Click to predict properties on the Chemicalize site


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