ChemSpider 2D Image | N-{1-[(2R)-2-Ethylhexanoyl]-4-piperidinyl}-N~2~-(ethylsulfonyl)-N~2~-isobutyl-N-(4-methylbenzyl)glycinamide | C29H49N3O4S

N-{1-[(2R)-2-Ethylhexanoyl]-4-piperidinyl}-N2-(ethylsulfonyl)-N2-isobutyl-N-(4-methylbenzyl)glycinamide

  • Molecular FormulaC29H49N3O4S
  • Average mass535.782 Da
  • Monoisotopic mass535.344360 Da
  • ChemSpider ID62600283

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Acetamide, N-[1-[(2R)-2-ethyl-1-oxohexyl]-4-piperidinyl]-2-[(ethylsulfonyl)(2-methylpropyl)amino]-N-[(4-methylphenyl)methyl]- [ACD/Index Name]
N-{1-[(2R)-2-Ethylhexanoyl]-4-piperidinyl}-N2-(ethylsulfonyl)-N2-isobutyl-N-(4-methylbenzyl)glycinamid [German] [ACD/IUPAC Name]
N-{1-[(2R)-2-Ethylhexanoyl]-4-piperidinyl}-N2-(ethylsulfonyl)-N2-isobutyl-N-(4-methylbenzyl)glycinamide [ACD/IUPAC Name]
N-{1-[(2R)-2-Éthylhexanoyl]-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: 681.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.0±3.0 kJ/mol
Flash Point: 365.8±34.3 °C
Index of Refraction: 1.547
Molar Refractivity: 151.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 6.28
ACD/LogD (pH 5.5): 5.62
ACD/BCF (pH 5.5): 11034.91
ACD/KOC (pH 5.5): 27252.28
ACD/LogD (pH 7.4): 5.62
ACD/BCF (pH 7.4): 11034.91
ACD/KOC (pH 7.4): 27252.28
Polar Surface Area: 86 Å2
Polarizability: 60.2±0.5 10-24cm3
Surface Tension: 47.4±5.0 dyne/cm
Molar Volume: 479.0±5.0 cm3

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