ChemSpider 2D Image | 1-Acetyl-N-(3,5-dimethoxybenzyl)-9-isobutyl-1,2,3,4,5,6,7,8,9,10-decahydro-1,9-benzodiazacyclododecine-12-carboxamide | C30H43N3O4

1-Acetyl-N-(3,5-dimethoxybenzyl)-9-isobutyl-1,2,3,4,5,6,7,8,9,10-decahydro-1,9-benzodiazacyclododecine-12-carboxamide

  • Molecular FormulaC30H43N3O4
  • Average mass509.680 Da
  • Monoisotopic mass509.325348 Da
  • ChemSpider ID77199990

More details:

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

1,9-Benzodiazacyclododecine-12-carboxamide, 1-acetyl-N-[(3,5-dimethoxyphenyl)methyl]-1,2,3,4,5,6,7,8,9,10-decahydro-9-(2-methylpropyl)- [ACD/Index Name]
1-Acetyl-N-(3,5-dimethoxybenzyl)-9-isobutyl-1,2,3,4,5,6,7,8,9,10-decahydro-1,9-benzodiazacyclododecin-12-carboxamid [German] [ACD/IUPAC Name]
1-Acetyl-N-(3,5-dimethoxybenzyl)-9-isobutyl-1,2,3,4,5,6,7,8,9,10-decahydro-1,9-benzodiazacyclododecine-12-carboxamide [ACD/IUPAC Name]
1-Acétyl-N-(3,5-diméthoxybenzyl)-9-isobutyl-1,2,3,4,5,6,7,8,9,10-décahydro-1,9-benzodiazacyclododécine-12-carboxamide [French] [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: 703.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.9±3.0 kJ/mol
Flash Point: 379.2±32.9 °C
Index of Refraction: 1.533
Molar Refractivity: 147.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.45
ACD/LogD (pH 5.5): 1.94
ACD/BCF (pH 5.5): 3.73
ACD/KOC (pH 5.5): 14.15
ACD/LogD (pH 7.4): 3.51
ACD/BCF (pH 7.4): 136.78
ACD/KOC (pH 7.4): 519.11
Polar Surface Area: 71 Å2
Polarizability: 58.6±0.5 10-24cm3
Surface Tension: 39.3±3.0 dyne/cm
Molar Volume: 476.1±3.0 cm3

Click to predict properties on the Chemicalize site


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