Found 348 results

Search term: MF = 'C_{29}H_{44}N_{2}O_{3}'
ChemSpider 2D Image | N-{(1S,3aS,5S,7aR)-7a-[3-(Cyclopropylamino)-3-oxopropyl]-5-hydroxy-3,3,5-trimethyloctahydro-1H-inden-1-yl}-4-(2-methyl-2-propanyl)benzamide | C29H44N2O3

N-{(1S,3aS,5S,7aR)-7a-[3-(Cyclopropylamino)-3-oxopropyl]-5-hydroxy-3,3,5-trimethyloctahydro-1H-inden-1-yl}-4-(2-methyl-2-propanyl)benzamide

  • Molecular FormulaC29H44N2O3
  • Average mass468.671 Da
  • Monoisotopic mass468.335205 Da
  • ChemSpider ID22806971

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

3aH-Indene-3a-propanamide, N-cyclopropyl-3-[[4-(1,1-dimethylethyl)benzoyl]amino]octahydro-6-hydroxy-1,1,6-trimethyl-, (3S,3aR,6S,7aS)- [ACD/Index Name]
N-{(1S,3aS,5S,7aR)-7a-[3-(Cyclopropylamino)-3-oxopropyl]-5-hydroxy-3,3,5-trimethyloctahydro-1H-inden-1-yl}-4-(2-methyl-2-propanyl)benzamid [German] [ACD/IUPAC Name]
N-{(1S,3aS,5S,7aR)-7a-[3-(Cyclopropylamino)-3-oxopropyl]-5-hydroxy-3,3,5-trimethyloctahydro-1H-inden-1-yl}-4-(2-methyl-2-propanyl)benzamide [ACD/IUPAC Name]
N-{(1S,3aS,5S,7aR)-7a-[3-(Cyclopropylamino)-3-oxopropyl]-5-hydroxy-3,3,5-triméthyloctahydro-1H-indén-1-yl}-4-(2-méthyl-2-propanyl)benzamide [French] [ACD/IUPAC 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: 650.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.7±3.0 kJ/mol
Flash Point: 347.1±31.5 °C
Index of Refraction: 1.566
Molar Refractivity: 136.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.33
ACD/LogD (pH 5.5): 4.40
ACD/BCF (pH 5.5): 1301.23
ACD/KOC (pH 5.5): 5900.03
ACD/LogD (pH 7.4): 4.40
ACD/BCF (pH 7.4): 1301.23
ACD/KOC (pH 7.4): 5900.03
Polar Surface Area: 78 Å2
Polarizability: 54.0±0.5 10-24cm3
Surface Tension: 47.8±5.0 dyne/cm
Molar Volume: 417.6±5.0 cm3

Click to predict properties on the Chemicalize site


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