ChemSpider 2D Image | 4-[4-({(3R)-1-Butyl-3-[(1R)-1-hydroxy-2-methylpropyl]-2,5-dioxo-1,4,9-triazaspiro[5.5]undec-9-yl}methyl)phenoxy]-N-[2-(dimethylamino)ethyl]benzamide | C34H49N5O5

4-[4-({(3R)-1-Butyl-3-[(1R)-1-hydroxy-2-methylpropyl]-2,5-dioxo-1,4,9-triazaspiro[5.5]undec-9-yl}methyl)phenoxy]-N-[2-(dimethylamino)ethyl]benzamide

  • Molecular FormulaC34H49N5O5
  • Average mass607.783 Da
  • Monoisotopic mass607.373352 Da
  • ChemSpider ID8479762

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

4-[4-({(3R)-1-Butyl-3-[(1R)-1-hydroxy-2-methylpropyl]-2,5-dioxo-1,4,9-triazaspiro[5.5]undec-9-yl}methyl)phenoxy]-N-[2-(dimethylamino)ethyl]benzamid [German] [ACD/IUPAC Name]
4-[4-({(3R)-1-Butyl-3-[(1R)-1-hydroxy-2-methylpropyl]-2,5-dioxo-1,4,9-triazaspiro[5.5]undec-9-yl}methyl)phenoxy]-N-[2-(dimethylamino)ethyl]benzamide [ACD/IUPAC Name]
4-[4-({(3R)-1-Butyl-3-[(1R)-1-hydroxy-2-méthylpropyl]-2,5-dioxo-1,4,9-triazaspiro[5.5]undéc-9-yl}méthyl)phénoxy]-N-[2-(diméthylamino)éthyl]benzamide [French] [ACD/IUPAC Name]
Benzamide, 4-[4-[[(3R)-1-butyl-3-[(1R)-1-hydroxy-2-methylpropyl]-2,5-dioxo-1,4,9-triazaspiro[5.5]undec-9-yl]methyl]phenoxy]-N-[2-(dimethylamino)ethyl]- [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: 804.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.7±3.0 kJ/mol
Flash Point: 440.4±34.3 °C
Index of Refraction: 1.606
Molar Refractivity: 171.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 3.09
ACD/LogD (pH 5.5): -0.94
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.85
ACD/BCF (pH 7.4): 7.64
ACD/KOC (pH 7.4): 67.71
Polar Surface Area: 114 Å2
Polarizability: 68.1±0.5 10-24cm3
Surface Tension: 58.0±5.0 dyne/cm
Molar Volume: 498.2±5.0 cm3

Click to predict properties on the Chemicalize site


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