ChemSpider 2D Image | N-[(2R,3S)-5-[(2S)-1-Hydroxy-2-propanyl]-2-{[(4-methoxybenzyl)(methyl)amino]methyl}-3-methyl-6-oxo-2,3,4,5,6,7-hexahydro-1,5-benzoxazonin-9-yl]-2-phenylacetamide | C33H41N3O5

N-[(2R,3S)-5-[(2S)-1-Hydroxy-2-propanyl]-2-{[(4-methoxybenzyl)(methyl)amino]methyl}-3-methyl-6-oxo-2,3,4,5,6,7-hexahydro-1,5-benzoxazonin-9-yl]-2-phenylacetamide

  • Molecular FormulaC33H41N3O5
  • Average mass559.696 Da
  • Monoisotopic mass559.304626 Da
  • ChemSpider ID28654121

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

Benzeneacetamide, N-[(2R,3S)-2,3,4,5,6,7-hexahydro-5-[(1S)-2-hydroxy-1-methylethyl]-2-[[[(4-methoxyphenyl)methyl]methylamino]methyl]-3-methyl-6-oxo-1,5-benzoxazonin-9-yl]- [ACD/Index Name]
N-[(2R,3S)-5-[(2S)-1-Hydroxy-2-propanyl]-2-{[(4-methoxybenzyl)(methyl)amino]methyl}-3-methyl-6-oxo-2,3,4,5,6,7-hexahydro-1,5-benzoxazonin-9-yl]-2-phenylacetamid [German] [ACD/IUPAC Name]
N-[(2R,3S)-5-[(2S)-1-Hydroxy-2-propanyl]-2-{[(4-methoxybenzyl)(methyl)amino]methyl}-3-methyl-6-oxo-2,3,4,5,6,7-hexahydro-1,5-benzoxazonin-9-yl]-2-phenylacetamide [ACD/IUPAC Name]
N-[(2R,3S)-5-[(2S)-1-Hydroxy-2-propanyl]-2-{[(4-méthoxybenzyl)(méthyl)amino]méthyl}-3-méthyl-6-oxo-2,3,4,5,6,7-hexahydro-1,5-benzoxazonin-9-yl]-2-phénylacétamide [French] [ACD/IUPAC Name]
N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-2-phenylacetamide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 766.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 117.1±3.0 kJ/mol
Flash Point: 417.5±32.9 °C
Index of Refraction: 1.588
Molar Refractivity: 160.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 3.98
ACD/LogD (pH 5.5): 1.61
ACD/BCF (pH 5.5): 2.88
ACD/KOC (pH 5.5): 17.15
ACD/LogD (pH 7.4): 3.31
ACD/BCF (pH 7.4): 142.07
ACD/KOC (pH 7.4): 846.74
Polar Surface Area: 91 Å2
Polarizability: 63.7±0.5 10-24cm3
Surface Tension: 48.5±3.0 dyne/cm
Molar Volume: 477.5±3.0 cm3

Click to predict properties on the Chemicalize site


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