ChemSpider 2D Image | N-Hydroxy-2-[4-(3-{4-[(2S)-2-hydroxy-3,3-dimethylbutoxy]-3-methylphenyl}-3-pentanyl)-2-methylphenoxy]acetamide | C27H39NO5

N-Hydroxy-2-[4-(3-{4-[(2S)-2-hydroxy-3,3-dimethylbutoxy]-3-methylphenyl}-3-pentanyl)-2-methylphenoxy]acetamide

  • Molecular FormulaC27H39NO5
  • Average mass457.602 Da
  • Monoisotopic mass457.282837 Da
  • ChemSpider ID35033463
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

Acetamide, 2-[4-[1-ethyl-1-[4-[(2S)-2-hydroxy-3,3-dimethylbutoxy]-3-methylphenyl]propyl]-2-methylphenoxy]-N-hydroxy- [ACD/Index Name]
N-Hydroxy-2-[4-(3-{4-[(2S)-2-hydroxy-3,3-dimethylbutoxy]-3-methylphenyl}-3-pentanyl)-2-methylphenoxy]acetamid [German] [ACD/IUPAC Name]
N-Hydroxy-2-[4-(3-{4-[(2S)-2-hydroxy-3,3-dimethylbutoxy]-3-methylphenyl}-3-pentanyl)-2-methylphenoxy]acetamide [ACD/IUPAC Name]
N-Hydroxy-2-[4-(3-{4-[(2S)-2-hydroxy-3,3-diméthylbutoxy]-3-méthylphényl}-3-pentanyl)-2-méthylphénoxy]acétamide [French] [ACD/IUPAC Name]
N-Hydroxy-2-{4-[3-(4-{[(2s)-2-Hydroxy-3,3-Dimethylbutyl]oxy}-3-Methylphenyl)pentan-3-Yl]-2-Methylphenoxy}acetamide
0U3

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

Density: 1.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.542
Molar Refractivity: 131.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 5.21
ACD/LogD (pH 5.5): 4.86
ACD/BCF (pH 5.5): 2922.57
ACD/KOC (pH 5.5): 10528.40
ACD/LogD (pH 7.4): 4.86
ACD/BCF (pH 7.4): 2871.82
ACD/KOC (pH 7.4): 10345.56
Polar Surface Area: 88 Å2
Polarizability: 52.0±0.5 10-24cm3
Surface Tension: 41.2±3.0 dyne/cm
Molar Volume: 416.7±3.0 cm3

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