ChemSpider 2D Image | N-(2-aminophenyl)-4-[[[(2S,3R)-8-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl-methylamino]methyl]benzamide | C32H41N5O4

N-(2-aminophenyl)-4-[[[(2S,3R)-8-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl-methylamino]methyl]benzamide

  • Molecular FormulaC32H41N5O4
  • Average mass559.699 Da
  • Monoisotopic mass559.315857 Da
  • ChemSpider ID28654692

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

Benzamide, N-(2-aminophenyl)-4-[[[[(2S,3R)-8-(dimethylamino)-3,4,5,6-tetrahydro-5-[(1S)-2-hydroxy-1-methylethyl]-3-methyl-6-oxo-2H-1,5-benzoxazocin-2-yl]methyl]methylamino]methyl]- [ACD/Index Name]
N-(2-aminophenyl)-4-[[[(2S,3R)-8-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl-methylamino]methyl]benzamide
N-(2-Aminophenyl)-4-{[({(2S,3R)-8-(dimethylamino)-5-[(2S)-1-hydroxy-2-propanyl]-3-methyl-6-oxo-3,4,5,6-tetrahydro-2H-1,5-benzoxazocin-2-yl}methyl)(methyl)amino]methyl}benzamid [German] [ACD/IUPAC Name]
N-(2-Aminophenyl)-4-{[({(2S,3R)-8-(dimethylamino)-5-[(2S)-1-hydroxy-2-propanyl]-3-methyl-6-oxo-3,4,5,6-tetrahydro-2H-1,5-benzoxazocin-2-yl}methyl)(methyl)amino]methyl}benzamide [ACD/IUPAC Name]
N-(2-Aminophényl)-4-{[({(2S,3R)-8-(diméthylamino)-5-[(2S)-1-hydroxy-2-propanyl]-3-méthyl-6-oxo-3,4,5,6-tétrahydro-2H-1,5-benzoxazocin-2-yl}méthyl)(méthyl)amino]méthyl}benzamide [French] [ACD/IUPAC 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: 710.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.1±3.0 kJ/mol
Flash Point: 383.4±32.9 °C
Index of Refraction: 1.628
Molar Refractivity: 163.7±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 2.09
ACD/LogD (pH 5.5): 1.08
ACD/BCF (pH 5.5): 1.68
ACD/KOC (pH 5.5): 18.68
ACD/LogD (pH 7.4): 2.48
ACD/BCF (pH 7.4): 41.89
ACD/KOC (pH 7.4): 464.53
Polar Surface Area: 111 Å2
Polarizability: 64.9±0.5 10-24cm3
Surface Tension: 54.7±3.0 dyne/cm
Molar Volume: 461.1±3.0 cm3

Click to predict properties on the Chemicalize site


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