ChemSpider 2D Image | N-[(2S)-1,3-Dihydroxy-2-undecanyl]-3-methylbutanamide | C16H33NO3

N-[(2S)-1,3-Dihydroxy-2-undecanyl]-3-methylbutanamide

  • Molecular FormulaC16H33NO3
  • Average mass287.438 Da
  • Monoisotopic mass287.246033 Da
  • ChemSpider ID23281789

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

Butanamide, N-[(1S)-2-hydroxy-1-(hydroxymethyl)decyl]-3-methyl- [ACD/Index Name]
N-[(2S)-1,3-Dihydroxy-2-undecanyl]-3-methylbutanamid [German] [ACD/IUPAC Name]
N-[(2S)-1,3-Dihydroxy-2-undecanyl]-3-methylbutanamide [ACD/IUPAC Name]
N-[(2S)-1,3-Dihydroxy-2-undécanyl]-3-méthylbutanamide [French] [ACD/IUPAC Name]
N-[(2S)-1,3-dihydroxyundecan-2-yl]-3-methylbutanamide
920277-62-9 [RN]
N-((2S)-1,3-dihydroxyundecan-2-yl)-3-methylbutanamide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 483.3±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 86.2±6.0 kJ/mol
Flash Point: 246.1±25.9 °C
Index of Refraction: 1.473
Molar Refractivity: 82.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 3.72
ACD/LogD (pH 5.5): 3.21
ACD/BCF (pH 5.5): 162.48
ACD/KOC (pH 5.5): 1330.78
ACD/LogD (pH 7.4): 3.21
ACD/BCF (pH 7.4): 162.48
ACD/KOC (pH 7.4): 1330.78
Polar Surface Area: 70 Å2
Polarizability: 32.8±0.5 10-24cm3
Surface Tension: 37.1±3.0 dyne/cm
Molar Volume: 294.7±3.0 cm3

Click to predict properties on the Chemicalize site


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