ChemSpider 2D Image | N,N-Dicyclohexyl-2-{4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1,4-diazepan-1-yl}acetamide | C25H44N4O2

N,N-Dicyclohexyl-2-{4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1,4-diazepan-1-yl}acetamide

  • Molecular FormulaC25H44N4O2
  • Average mass432.642 Da
  • Monoisotopic mass432.346436 Da
  • ChemSpider ID48146300

More details:

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

1H-1,4-Diazepine-1-acetamide, N,N-dicyclohexylhexahydro-4-[2-oxo-2-(1-pyrrolidinyl)ethyl]- [ACD/Index Name]
N,N-Dicyclohexyl-2-{4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1,4-diazepan-1-yl}acetamid [German] [ACD/IUPAC Name]
N,N-Dicyclohexyl-2-{4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1,4-diazepan-1-yl}acetamide [ACD/IUPAC Name]
N,N-Dicyclohexyl-2-{4-[2-oxo-2-(1-pyrrolidinyl)éthyl]-1,4-diazépan-1-yl}acétamide [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: 602.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.6±3.0 kJ/mol
Flash Point: 246.0±23.9 °C
Index of Refraction: 1.567
Molar Refractivity: 125.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.91
ACD/LogD (pH 5.5): 2.30
ACD/BCF (pH 5.5): 20.57
ACD/KOC (pH 5.5): 171.94
ACD/LogD (pH 7.4): 3.14
ACD/BCF (pH 7.4): 140.17
ACD/KOC (pH 7.4): 1171.47
Polar Surface Area: 47 Å2
Polarizability: 49.7±0.5 10-24cm3
Surface Tension: 51.0±5.0 dyne/cm
Molar Volume: 383.7±5.0 cm3

Click to predict properties on the Chemicalize site


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