ChemSpider 2D Image | N-[1-(3-Methylbutyl)-4-piperidinyl]-4-pentyl-N-[3-(phenylethynyl)benzyl]cyclohexanecarboxamide | C37H52N2O

N-[1-(3-Methylbutyl)-4-piperidinyl]-4-pentyl-N-[3-(phenylethynyl)benzyl]cyclohexanecarboxamide

  • Molecular FormulaC37H52N2O
  • Average mass540.822 Da
  • Monoisotopic mass540.407959 Da
  • ChemSpider ID9817113

More details:

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

Cyclohexanecarboxamide, N-[1-(3-methylbutyl)-4-piperidinyl]-4-pentyl-N-[[3-(2-phenylethynyl)phenyl]methyl]- [ACD/Index Name]
N-[1-(3-Methylbutyl)-4-piperidinyl]-4-pentyl-N-[3-(phenylethinyl)benzyl]cyclohexancarboxamid [German] [ACD/IUPAC Name]
N-[1-(3-Methylbutyl)-4-piperidinyl]-4-pentyl-N-[3-(phenylethynyl)benzyl]cyclohexanecarboxamide [ACD/IUPAC Name]
N-[1-(3-Méthylbutyl)-4-pipéridinyl]-4-pentyl-N-[3-(phényléthynyl)benzyl]cyclohexanecarboxamide [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: 671.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.7±3.0 kJ/mol
Flash Point: 247.2±23.9 °C
Index of Refraction: 1.573
Molar Refractivity: 168.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 10.81
ACD/LogD (pH 5.5): 6.82
ACD/BCF (pH 5.5): 19534.34
ACD/KOC (pH 5.5): 6806.96
ACD/LogD (pH 7.4): 8.43
ACD/BCF (pH 7.4): 812513.50
ACD/KOC (pH 7.4): 283129.34
Polar Surface Area: 24 Å2
Polarizability: 67.0±0.5 10-24cm3
Surface Tension: 47.4±5.0 dyne/cm
Molar Volume: 512.7±5.0 cm3

Click to predict properties on the Chemicalize site


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