ChemSpider 2D Image | N-[(2R,3R)-1'-{[(4S)-4-Isopropenyl-1-cyclohexen-1-yl]methyl}-2-(2-methoxyethoxy)-2,3-dihydrospiro[indene-1,4'-piperidin]-3-yl]propanamide | C29H42N2O3

N-[(2R,3R)-1'-{[(4S)-4-Isopropenyl-1-cyclohexen-1-yl]methyl}-2-(2-methoxyethoxy)-2,3-dihydrospiro[indene-1,4'-piperidin]-3-yl]propanamide

  • Molecular FormulaC29H42N2O3
  • Average mass466.655 Da
  • Monoisotopic mass466.319550 Da
  • ChemSpider ID22859556

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

N-[(2R,3R)-1'-{[(4S)-4-Isopropenyl-1-cyclohexen-1-yl]methyl}-2-(2-methoxyethoxy)-2,3-dihydrospiro[indene-1,4'-piperidin]-3-yl]propanamid [German] [ACD/IUPAC Name]
N-[(2R,3R)-1'-{[(4S)-4-Isopropenyl-1-cyclohexen-1-yl]methyl}-2-(2-methoxyethoxy)-2,3-dihydrospiro[indene-1,4'-piperidin]-3-yl]propanamide [ACD/IUPAC Name]
N-[(2R,3R)-1'-{[(4S)-4-Isopropényl-1-cyclohexén-1-yl]méthyl}-2-(2-méthoxyéthoxy)-2,3-dihydrospiro[indene-1,4'-piperidin]-3-yl]propanamide [French] [ACD/IUPAC Name]
Propanamide, N-[(2R,3R)-2,3-dihydro-2-(2-methoxyethoxy)-1'-[[(4S)-4-(1-methylethenyl)-1-cyclohexen-1-yl]methyl]spiro[1H-indene-1,4'-piperidin]-3-yl]- [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: 622.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.2±3.0 kJ/mol
Flash Point: 330.1±31.5 °C
Index of Refraction: 1.566
Molar Refractivity: 137.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.07
ACD/LogD (pH 5.5): 2.23
ACD/BCF (pH 5.5): 5.72
ACD/KOC (pH 5.5): 17.59
ACD/LogD (pH 7.4): 3.60
ACD/BCF (pH 7.4): 133.14
ACD/KOC (pH 7.4): 409.32
Polar Surface Area: 51 Å2
Polarizability: 54.5±0.5 10-24cm3
Surface Tension: 45.6±5.0 dyne/cm
Molar Volume: 421.4±5.0 cm3

Click to predict properties on the Chemicalize site


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