ChemSpider 2D Image | 2-[(3s,5s,7s)-Adamantan-1-yl]-N,N'-bis(4-methylphenyl)malonamide | C27H32N2O2

2-[(3s,5s,7s)-Adamantan-1-yl]-N,N'-bis(4-methylphenyl)malonamide

  • Molecular FormulaC27H32N2O2
  • Average mass416.555 Da
  • Monoisotopic mass416.246368 Da
  • ChemSpider ID62505145

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2-[(3s,5s,7s)-Adamantan-1-yl]-N,N'-bis(4-methylphenyl)malonamid [German] [ACD/IUPAC Name]
2-[(3s,5s,7s)-Adamantan-1-yl]-N,N'-bis(4-methylphenyl)malonamide [ACD/IUPAC Name]
2-[(3s,5s,7s)-Adamantan-1-yl]-N,N'-bis(4-méthylphényl)malonamide [French] [ACD/IUPAC Name]
Propanediamide, N1,N3-bis(4-methylphenyl)-2-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: 1.2±0.1 g/cm3
Boiling Point: 650.1±43.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.8±3.0 kJ/mol
Flash Point: 198.0±28.3 °C
Index of Refraction: 1.648
Molar Refractivity: 124.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.24
ACD/LogD (pH 5.5): 5.74
ACD/BCF (pH 5.5): 13510.87
ACD/KOC (pH 5.5): 31490.35
ACD/LogD (pH 7.4): 5.70
ACD/BCF (pH 7.4): 12315.95
ACD/KOC (pH 7.4): 28705.30
Polar Surface Area: 58 Å2
Polarizability: 49.2±0.5 10-24cm3
Surface Tension: 58.2±3.0 dyne/cm
Molar Volume: 340.8±3.0 cm3

Click to predict properties on the Chemicalize site


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