ChemSpider 2D Image | 4-amino-n-{4-[2-(2,6-dimethyl-phenoxy)-acetylamino]-3-hydroxy-1-isobutyl-5-phenyl-pentyl}-benzamide | C32H41N3O4

4-amino-n-{4-[2-(2,6-dimethyl-phenoxy)-acetylamino]-3-hydroxy-1-isobutyl-5-phenyl-pentyl}-benzamide

  • Molecular FormulaC32H41N3O4
  • Average mass531.686 Da
  • Monoisotopic mass531.309692 Da
  • ChemSpider ID394146

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

3-Amino-N-[(4S,6S,7S)-7-{[(2,6-dimethylphenoxy)acetyl]amino}-6-hydroxy-2-methyl-8-phenyl-4-octanyl]benzamid [German] [ACD/IUPAC Name]
3-Amino-N-[(4S,6S,7S)-7-{[(2,6-dimethylphenoxy)acetyl]amino}-6-hydroxy-2-methyl-8-phenyl-4-octanyl]benzamide [ACD/IUPAC Name]
3-Amino-N-[(4S,6S,7S)-7-{[2-(2,6-diméthylphénoxy)acétyl]amino}-6-hydroxy-2-méthyl-8-phényl-4-octanyl]benzamide [French] [ACD/IUPAC Name]
4-amino-n-{4-[2-(2,6-dimethyl-phenoxy)-acetylamino]-3-hydroxy-1-isobutyl-5-phenyl-pentyl}-benzamide
Benzamide, 3-amino-N-[(1S,3S,4S)-4-[[2-(2,6-dimethylphenoxy)acetyl]amino]-3-hydroxy-1-(2-methylpropyl)-5-phenylpentyl]- [ACD/Index Name]
N-[(2S,3S,5S)-5-[(3-aminophenyl)formamido]-3-hydroxy-7-methyl-1-phenyloctan-2-yl]-2-(2,6-dimethylphenoxy)acetamide
R36

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 815.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.2±3.0 kJ/mol
Flash Point: 446.7±34.3 °C
Index of Refraction: 1.587
Molar Refractivity: 155.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 5.57
ACD/LogD (pH 5.5): 5.06
ACD/BCF (pH 5.5): 4100.19
ACD/KOC (pH 5.5): 13376.92
ACD/LogD (pH 7.4): 5.06
ACD/BCF (pH 7.4): 4142.46
ACD/KOC (pH 7.4): 13514.85
Polar Surface Area: 114 Å2
Polarizability: 61.8±0.5 10-24cm3
Surface Tension: 48.4±3.0 dyne/cm
Molar Volume: 463.7±3.0 cm3

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