Found 139 results

Search term: MF = 'C_{28}H_{48}N_{2}O_{2}'
ChemSpider 2D Image | N-Octyl-N-[(4aR,6aS,7S,11aR)-1,4a,6a-trimethyl-2-oxohexadecahydro-1H-indeno[5,4-f]quinolin-7-yl]formamide | C28H48N2O2

N-Octyl-N-[(4aR,6aS,7S,11aR)-1,4a,6a-trimethyl-2-oxohexadecahydro-1H-indeno[5,4-f]quinolin-7-yl]formamide

  • Molecular FormulaC28H48N2O2
  • Average mass444.693 Da
  • Monoisotopic mass444.371582 Da
  • ChemSpider ID23115628

  • defined stereocentres - 4 of 7 defined stereocentres

More details:

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

Formamide, N-[(4aR,6aS,7S,11aR)-hexadecahydro-1,4a,6a-trimethyl-2-oxo-1H-indeno[5,4-f]quinolin-7-yl]-N-octyl- [ACD/Index Name]
N-Octyl-N-[(4aR,6aS,7S,11aR)-1,4a,6a-trimethyl-2-oxohexadecahydro-1H-indeno[5,4-f]chinolin-7-yl]formamid [German] [ACD/IUPAC Name]
N-Octyl-N-[(4aR,6aS,7S,11aR)-1,4a,6a-triméthyl-2-oxohexadécahydro-1H-indéno[5,4-f]quinoléin-7-yl]formamide [French] [ACD/IUPAC Name]
N-Octyl-N-[(4aR,6aS,7S,11aR)-1,4a,6a-trimethyl-2-oxohexadecahydro-1H-indeno[5,4-f]quinolin-7-yl]formamide [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL417627/
N-Octyl-N-((4aR,6aS,7S,11aR)-1,4a,6a-trimethyl-2-oxo-hexadecahydro-indeno[5,4-f]quinolin-7-yl)-formamide

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

Density: 1.1±0.1 g/cm3
Boiling Point: 589.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 87.9±3.0 kJ/mol
Flash Point: 228.2±22.5 °C
Index of Refraction: 1.536
Molar Refractivity: 131.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 6.58
ACD/LogD (pH 5.5): 6.38
ACD/BCF (pH 5.5): 41532.69
ACD/KOC (pH 5.5): 70376.30
ACD/LogD (pH 7.4): 6.38
ACD/BCF (pH 7.4): 41532.79
ACD/KOC (pH 7.4): 70376.45
Polar Surface Area: 41 Å2
Polarizability: 52.2±0.5 10-24cm3
Surface Tension: 43.3±5.0 dyne/cm
Molar Volume: 422.3±5.0 cm3

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