ChemSpider 2D Image | N-{4-[4-({(3R)-1-Butyl-3-[(R)-hydroxy(tetrahydro-2H-pyran-4-yl)methyl]-2,5-dioxo-1,4,9-triazaspiro[5.5]undec-9-yl}methyl)phenoxy]phenyl}-3-methylbutanamide | C36H50N4O6

N-{4-[4-({(3R)-1-Butyl-3-[(R)-hydroxy(tetrahydro-2H-pyran-4-yl)methyl]-2,5-dioxo-1,4,9-triazaspiro[5.5]undec-9-yl}methyl)phenoxy]phenyl}-3-methylbutanamide

  • Molecular FormulaC36H50N4O6
  • Average mass634.805 Da
  • Monoisotopic mass634.373047 Da
  • ChemSpider ID8637141

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Butanamide, N-[4-[4-[[(3R)-1-butyl-3-[(R)-hydroxy(tetrahydro-2H-pyran-4-yl)methyl]-2,5-dioxo-1,4,9-triazaspiro[5.5]undec-9-yl]methyl]phenoxy]phenyl]-3-methyl- [ACD/Index Name]
N-{4-[4-({(3R)-1-Butyl-3-[(R)-hydroxy(tetrahydro-2H-pyran-4-yl)methyl]-2,5-dioxo-1,4,9-triazaspiro[5.5]undec-9-yl}methyl)phenoxy]phenyl}-3-methylbutanamid [German] [ACD/IUPAC Name]
N-{4-[4-({(3R)-1-Butyl-3-[(R)-hydroxy(tetrahydro-2H-pyran-4-yl)methyl]-2,5-dioxo-1,4,9-triazaspiro[5.5]undec-9-yl}methyl)phenoxy]phenyl}-3-methylbutanamide [ACD/IUPAC Name]
N-{4-[4-({(3R)-1-Butyl-3-[(R)-hydroxy(tétrahydro-2H-pyran-4-yl)méthyl]-2,5-dioxo-1,4,9-triazaspiro[5.5]undéc-9-yl}méthyl)phénoxy]phényl}-3-méthylbutanamide [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: 852.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 129.8±3.0 kJ/mol
Flash Point: 469.5±34.3 °C
Index of Refraction: 1.607
Molar Refractivity: 176.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 3.49
ACD/LogD (pH 5.5): 1.23
ACD/BCF (pH 5.5): 1.28
ACD/KOC (pH 5.5): 8.26
ACD/LogD (pH 7.4): 2.93
ACD/BCF (pH 7.4): 65.18
ACD/KOC (pH 7.4): 418.90
Polar Surface Area: 120 Å2
Polarizability: 70.1±0.5 10-24cm3
Surface Tension: 58.9±5.0 dyne/cm
Molar Volume: 511.8±5.0 cm3

Click to predict properties on the Chemicalize site


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