Found 348 results

Search term: MF = 'C_{29}H_{44}N_{2}O_{3}'
ChemSpider 2D Image | N-{(1S,2S,8S,8aS)-7-[(2S)-1-(Benzylamino)-1-oxo-2-propanyl]-8-hydroxy-1,4a-dimethyldecahydro-2-naphthalenyl}cyclohexanecarboxamide | C29H44N2O3

N-{(1S,2S,8S,8aS)-7-[(2S)-1-(Benzylamino)-1-oxo-2-propanyl]-8-hydroxy-1,4a-dimethyldecahydro-2-naphthalenyl}cyclohexanecarboxamide

  • Molecular FormulaC29H44N2O3
  • Average mass468.671 Da
  • Monoisotopic mass468.335205 Da
  • ChemSpider ID22805906

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

2-Naphthaleneacetamide, 7-[(cyclohexylcarbonyl)amino]decahydro-1-hydroxy-α,4a,8-trimethyl-N-(phenylmethyl)-, (αS,1S,7S,8S,8aS)- [ACD/Index Name]
N-{(1S,2S,8S,8aS)-7-[(2S)-1-(Benzylamino)-1-oxo-2-propanyl]-8-hydroxy-1,4a-diméthyldécahydro-2-naphtalényl}cyclohexanecarboxamide [French] [ACD/IUPAC Name]
N-{(1S,2S,8S,8aS)-7-[(2S)-1-(Benzylamino)-1-oxo-2-propanyl]-8-hydroxy-1,4a-dimethyldecahydro-2-naphthalenyl}cyclohexanecarboxamide [ACD/IUPAC Name]
N-{(1S,2S,8S,8aS)-7-[(2S)-1-(Benzylamino)-1-oxo-2-propanyl]-8-hydroxy-1,4a-dimethyldecahydro-2-naphthalinyl}cyclohexancarboxamid [German] [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: 698.2±48.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.3±3.0 kJ/mol
Flash Point: 376.0±29.6 °C
Index of Refraction: 1.562
Molar Refractivity: 136.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.30
ACD/LogD (pH 5.5): 4.58
ACD/BCF (pH 5.5): 1786.05
ACD/KOC (pH 5.5): 7401.20
ACD/LogD (pH 7.4): 4.58
ACD/BCF (pH 7.4): 1786.05
ACD/KOC (pH 7.4): 7401.21
Polar Surface Area: 78 Å2
Polarizability: 53.9±0.5 10-24cm3
Surface Tension: 47.8±5.0 dyne/cm
Molar Volume: 419.3±5.0 cm3

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