ChemSpider 2D Image | 4-(Adamantan-1-yl)-N-[1-(4-ethyl-1-piperazinyl)-3-methyl-1-oxo-2-butanyl]benzamide | C28H41N3O2

4-(Adamantan-1-yl)-N-[1-(4-ethyl-1-piperazinyl)-3-methyl-1-oxo-2-butanyl]benzamide

  • Molecular FormulaC28H41N3O2
  • Average mass451.644 Da
  • Monoisotopic mass451.319885 Da
  • ChemSpider ID21471504

More details:

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

4-(Adamantan-1-yl)-N-[1-(4-ethyl-1-piperazinyl)-3-methyl-1-oxo-2-butanyl]benzamid [German] [ACD/IUPAC Name]
4-(Adamantan-1-yl)-N-[1-(4-ethyl-1-piperazinyl)-3-methyl-1-oxo-2-butanyl]benzamide [ACD/IUPAC Name]
4-(Adamantan-1-yl)-N-[1-(4-éthyl-1-pipérazinyl)-3-méthyl-1-oxo-2-butanyl]benzamide [French] [ACD/IUPAC Name]
Benzamide, N-[1-[(4-ethyl-1-piperazinyl)carbonyl]-2-methylpropyl]-4-tricyclo[3.3.1.13,7]dec-1-yl- [ACD/Index 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: 622.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.2±3.0 kJ/mol
Flash Point: 330.2±31.5 °C
Index of Refraction: 1.569
Molar Refractivity: 131.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.50
ACD/LogD (pH 5.5): 3.65
ACD/BCF (pH 5.5): 192.99
ACD/KOC (pH 5.5): 738.23
ACD/LogD (pH 7.4): 4.68
ACD/BCF (pH 7.4): 2070.73
ACD/KOC (pH 7.4): 7920.85
Polar Surface Area: 53 Å2
Polarizability: 52.1±0.5 10-24cm3
Surface Tension: 45.6±3.0 dyne/cm
Molar Volume: 401.4±3.0 cm3

Click to predict properties on the Chemicalize site


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