ChemSpider 2D Image | N-[(2R,4aR,12aS)-2-[2-(cyclohexylmethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-oxanecarboxamide | C29H41N3O6

N-[(2R,4aR,12aS)-2-[2-(cyclohexylmethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-oxanecarboxamide

  • Molecular FormulaC29H41N3O6
  • Average mass527.652 Da
  • Monoisotopic mass527.299561 Da
  • ChemSpider ID58151057

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

N-[(2R,4aR,12aS)-2-[2-(cyclohexylmethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-oxanecarboxamide
N-[(2R,4aR,12aS)-2-{2-[(Cyclohexylmethyl)amino]-2-oxoethyl}-5-methyl-6-oxo-2,3,4,4a,5,6,12,12a-octahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]tetrahydro-2H-pyran-4-carboxamid [German] [ACD/IUPAC Name]
N-[(2R,4aR,12aS)-2-{2-[(Cyclohexylmethyl)amino]-2-oxoethyl}-5-methyl-6-oxo-2,3,4,4a,5,6,12,12a-octahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]tetrahydro-2H-pyran-4-carboxamide [ACD/IUPAC Name]
N-[(2R,4aR,12aS)-2-{2-[(Cyclohexylméthyl)amino]-2-oxoéthyl}-5-méthyl-6-oxo-2,3,4,4a,5,6,12,12a-octahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]tétrahydro-2H-pyrane-4-carboxamide [French] [ACD/IUPAC Name]
Pyrano[2,3-c][1,5]benzoxazocine-2-acetamide, N-(cyclohexylmethyl)-2,3,4,4a,5,6,12,12a-octahydro-5-methyl-6-oxo-8-[[(tetrahydro-2H-pyran-4-yl)carbonyl]amino]-, (2R,4aR,12aS)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 807.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 117.4±3.0 kJ/mol
Flash Point: 442.3±34.3 °C
Index of Refraction: 1.555
Molar Refractivity: 142.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 1.20
ACD/LogD (pH 5.5): 1.88
ACD/BCF (pH 5.5): 15.68
ACD/KOC (pH 5.5): 249.59
ACD/LogD (pH 7.4): 1.88
ACD/BCF (pH 7.4): 15.68
ACD/KOC (pH 7.4): 249.60
Polar Surface Area: 106 Å2
Polarizability: 56.3±0.5 10-24cm3
Surface Tension: 46.1±3.0 dyne/cm
Molar Volume: 442.5±3.0 cm3

Click to predict properties on the Chemicalize site


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