ChemSpider 2D Image | 3-[(3S,3aR,6S,7aS)-6-Hydroxy-3-(isopropylamino)-1,1,6-trimethyloctahydro-3aH-inden-3a-yl]-N-[2-(4-morpholinyl)ethyl]propanamide | C24H45N3O3

3-[(3S,3aR,6S,7aS)-6-Hydroxy-3-(isopropylamino)-1,1,6-trimethyloctahydro-3aH-inden-3a-yl]-N-[2-(4-morpholinyl)ethyl]propanamide

  • Molecular FormulaC24H45N3O3
  • Average mass423.632 Da
  • Monoisotopic mass423.346100 Da
  • ChemSpider ID22806955

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

3-[(3S,3aR,6S,7aS)-6-Hydroxy-3-(isopropylamino)-1,1,6-trimethyloctahydro-3aH-inden-3a-yl]-N-[2-(4-morpholinyl)ethyl]propanamid [German] [ACD/IUPAC Name]
3-[(3S,3aR,6S,7aS)-6-Hydroxy-3-(isopropylamino)-1,1,6-trimethyloctahydro-3aH-inden-3a-yl]-N-[2-(4-morpholinyl)ethyl]propanamide [ACD/IUPAC Name]
3-[(3S,3aR,6S,7aS)-6-Hydroxy-3-(isopropylamino)-1,1,6-triméthyloctahydro-3aH-indén-3a-yl]-N-[2-(4-morpholinyl)éthyl]propanamide [French] [ACD/IUPAC Name]
3aH-Indene-3a-propanamide, octahydro-6-hydroxy-1,1,6-trimethyl-3-[(1-methylethyl)amino]-N-[2-(4-morpholinyl)ethyl]-, (3S,3aR,6S,7aS)- [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: 577.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 99.2±6.0 kJ/mol
Flash Point: 302.9±30.1 °C
Index of Refraction: 1.535
Molar Refractivity: 121.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.38
ACD/LogD (pH 5.5): -1.79
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.74
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 74 Å2
Polarizability: 48.2±0.5 10-24cm3
Surface Tension: 44.9±5.0 dyne/cm
Molar Volume: 390.7±5.0 cm3

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