ChemSpider 2D Image | N-[2-(1-Cyclopentyl-2-piperidinyl)ethyl]-1-(methoxyacetyl)-1,2,3,4,5,6,7,8,9,10-decahydro-1,9-benzodiazacyclododecine-12-carboxamide | C30H48N4O3

N-[2-(1-Cyclopentyl-2-piperidinyl)ethyl]-1-(methoxyacetyl)-1,2,3,4,5,6,7,8,9,10-decahydro-1,9-benzodiazacyclododecine-12-carboxamide

  • Molecular FormulaC30H48N4O3
  • Average mass512.727 Da
  • Monoisotopic mass512.372620 Da
  • ChemSpider ID80810354

More details:

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

1,9-Benzodiazacyclododecine-12-carboxamide, N-[2-(1-cyclopentyl-2-piperidinyl)ethyl]-1,2,3,4,5,6,7,8,9,10-decahydro-1-(2-methoxyacetyl)- [ACD/Index Name]
N-[2-(1-Cyclopentyl-2-pipéridinyl)éthyl]-1-(2-méthoxyacétyl)-1,2,3,4,5,6,7,8,9,10-décahydro-1,9-benzodiazacyclododécine-12-carboxamide [French] [ACD/IUPAC Name]
N-[2-(1-Cyclopentyl-2-piperidinyl)ethyl]-1-(methoxyacetyl)-1,2,3,4,5,6,7,8,9,10-decahydro-1,9-benzodiazacyclododecin-12-carboxamid [German] [ACD/IUPAC Name]
N-[2-(1-Cyclopentyl-2-piperidinyl)ethyl]-1-(methoxyacetyl)-1,2,3,4,5,6,7,8,9,10-decahydro-1,9-benzodiazacyclododecine-12-carboxamide [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 700.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.5±3.0 kJ/mol
Flash Point: 377.4±32.9 °C
Index of Refraction: 1.533
Molar Refractivity: 148.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.51
ACD/LogD (pH 5.5): 0.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 74 Å2
Polarizability: 58.7±0.5 10-24cm3
Surface Tension: 41.4±3.0 dyne/cm
Molar Volume: 476.7±3.0 cm3

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