ChemSpider 2D Image | N-(Adamantan-2-ylmethyl)-2-oxo-6-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)methyl]-1,2-dihydro-3-pyridinecarboxamide | C28H41N3O2

N-(Adamantan-2-ylmethyl)-2-oxo-6-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)methyl]-1,2-dihydro-3-pyridinecarboxamide

  • Molecular FormulaC28H41N3O2
  • Average mass451.644 Da
  • Monoisotopic mass451.319885 Da
  • ChemSpider ID22249175

More details:

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

3-Pyridinecarboxamide, 1,2-dihydro-2-oxo-N-(tricyclo[3.3.1.13,7]dec-2-ylmethyl)-6-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)methyl]- [ACD/Index Name]
N-(Adamantan-2-ylmethyl)-2-oxo-6-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)methyl]-1,2-dihydro-3-pyridincarboxamid [German] [ACD/IUPAC Name]
N-(Adamantan-2-ylmethyl)-2-oxo-6-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)methyl]-1,2-dihydro-3-pyridinecarboxamide [ACD/IUPAC Name]
N-(Adamantan-2-ylméthyl)-2-oxo-6-[(1,3,3-triméthyl-6-azabicyclo[3.2.1]oct-6-yl)méthyl]-1,2-dihydro-3-pyridinecarboxamide [French] [ACD/IUPAC Name]
N-(2-adamantylmethyl)-2-oxo-6-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)methyl]-1,2-dihydro-3-pyridinecarboxamide

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

Density: 1.1±0.1 g/cm3
Boiling Point: 646.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.3±3.0 kJ/mol
Flash Point: 344.7±31.5 °C
Index of Refraction: 1.563
Molar Refractivity: 129.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.50
ACD/LogD (pH 5.5): 1.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.95
ACD/LogD (pH 7.4): 2.44
ACD/BCF (pH 7.4): 16.22
ACD/KOC (pH 7.4): 82.04
Polar Surface Area: 61 Å2
Polarizability: 51.3±0.5 10-24cm3
Surface Tension: 42.5±3.0 dyne/cm
Molar Volume: 397.9±3.0 cm3

Click to predict properties on the Chemicalize site


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