ChemSpider 2D Image | N-[2-(1,3-Benzodioxol-5-yl)ethyl]-4-(cyclooctylamino)-1-(1-propyl-4-piperidinyl)prolinamide | C30H48N4O3

N-[2-(1,3-Benzodioxol-5-yl)ethyl]-4-(cyclooctylamino)-1-(1-propyl-4-piperidinyl)prolinamide

  • Molecular FormulaC30H48N4O3
  • Average mass512.727 Da
  • Monoisotopic mass512.372620 Da
  • ChemSpider ID24653528

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-Pyrrolidinecarboxamide, N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(cyclooctylamino)-1-(1-propyl-4-piperidinyl)- [ACD/Index Name]
N-[2-(1,3-Benzodioxol-5-yl)ethyl]-4-(cyclooctylamino)-1-(1-propyl-4-piperidinyl)prolinamid [German] [ACD/IUPAC Name]
N-[2-(1,3-Benzodioxol-5-yl)ethyl]-4-(cyclooctylamino)-1-(1-propyl-4-piperidinyl)prolinamide [ACD/IUPAC Name]
N-[2-(1,3-Benzodioxol-5-yl)éthyl]-4-(cyclooctylamino)-1-(1-propyl-4-pipéridinyl)prolinamide [French] [ACD/IUPAC Name]
GNF-PF-487

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

Density: 1.2±0.1 g/cm3
Boiling Point: 673.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.9±3.0 kJ/mol
Flash Point: 361.2±31.5 °C
Index of Refraction: 1.583
Molar Refractivity: 148.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.26
ACD/LogD (pH 5.5): 0.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.10
Polar Surface Area: 66 Å2
Polarizability: 58.8±0.5 10-24cm3
Surface Tension: 51.8±5.0 dyne/cm
Molar Volume: 443.8±5.0 cm3

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