ChemSpider 2D Image | (4R)-N,N-Diethyl-4-[(4aR,4bS,6aR,7R,9aS,9bS,11aR)-1,4a,6a-trimethyl-2-oxohexadecahydro-1H-indeno[5,4-f]quinolin-7-yl]pentanamide | C28H48N2O2

(4R)-N,N-Diethyl-4-[(4aR,4bS,6aR,7R,9aS,9bS,11aR)-1,4a,6a-trimethyl-2-oxohexadecahydro-1H-indeno[5,4-f]quinolin-7-yl]pentanamide

  • Molecular FormulaC28H48N2O2
  • Average mass444.693 Da
  • Monoisotopic mass444.371582 Da
  • ChemSpider ID31107712

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(4R)-N,N-Diethyl-4-[(4aR,4bS,6aR,7R,9aS,9bS,11aR)-1,4a,6a-trimethyl-2-oxohexadecahydro-1H-indeno[5,4-f]chinolin-7-yl]pentanamid [German] [ACD/IUPAC Name]
(4R)-N,N-Diéthyl-4-[(4aR,4bS,6aR,7R,9aS,9bS,11aR)-1,4a,6a-triméthyl-2-oxohexadécahydro-1H-indéno[5,4-f]quinoléin-7-yl]pentanamide [French] [ACD/IUPAC Name]
(4R)-N,N-Diethyl-4-[(4aR,4bS,6aR,7R,9aS,9bS,11aR)-1,4a,6a-trimethyl-2-oxohexadecahydro-1H-indeno[5,4-f]quinolin-7-yl]pentanamide [ACD/IUPAC Name]
1H-Indeno[5,4-f]quinoline-7-butanamide, N,N-diethylhexadecahydro-γ,1,4a,6a-tetramethyl-2-oxo-, (γR,4aR,4bS,6aR,7R,9aS,9bS,11aR)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 564.5±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.8±3.0 kJ/mol
Flash Point: 211.4±15.0 °C
Index of Refraction: 1.511
Molar Refractivity: 131.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.13
ACD/LogD (pH 5.5): 5.28
ACD/BCF (pH 5.5): 6092.21
ACD/KOC (pH 5.5): 17812.85
ACD/LogD (pH 7.4): 5.28
ACD/BCF (pH 7.4): 6092.22
ACD/KOC (pH 7.4): 17812.89
Polar Surface Area: 41 Å2
Polarizability: 51.9±0.5 10-24cm3
Surface Tension: 36.8±3.0 dyne/cm
Molar Volume: 437.2±3.0 cm3

Click to predict properties on the Chemicalize site


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