ChemSpider 2D Image | (1R,2R)-N-[(2S,3S)-2-Amino-3-methylpentyl]-2-phenyl-N-(4'-propyl-4-biphenylyl)cyclopropanecarboxamide | C31H38N2O

(1R,2R)-N-[(2S,3S)-2-Amino-3-methylpentyl]-2-phenyl-N-(4'-propyl-4-biphenylyl)cyclopropanecarboxamide

  • Molecular FormulaC31H38N2O
  • Average mass454.646 Da
  • Monoisotopic mass454.298401 Da
  • ChemSpider ID58988423

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,2R)-N-[(2S,3S)-2-Amino-3-methylpentyl]-2-phenyl-N-(4'-propyl-4-biphenylyl)cyclopropancarboxamid [German] [ACD/IUPAC Name]
(1R,2R)-N-[(2S,3S)-2-Amino-3-methylpentyl]-2-phenyl-N-(4'-propyl-4-biphenylyl)cyclopropanecarboxamide [ACD/IUPAC Name]
(1R,2R)-N-[(2S,3S)-2-Amino-3-méthylpentyl]-2-phényl-N-(4'-propyl-4-biphénylyl)cyclopropanecarboxamide [French] [ACD/IUPAC Name]
Cyclopropanecarboxamide, N-[(2S,3S)-2-amino-3-methylpentyl]-2-phenyl-N-(4'-propyl[1,1'-biphenyl]-4-yl)-, (1R,2R)- [ACD/Index 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: 609.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.6±3.0 kJ/mol
Flash Point: 322.6±31.5 °C
Index of Refraction: 1.599
Molar Refractivity: 142.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 7.10
ACD/LogD (pH 5.5): 2.79
ACD/BCF (pH 5.5): 14.40
ACD/KOC (pH 5.5): 31.86
ACD/LogD (pH 7.4): 3.75
ACD/BCF (pH 7.4): 130.48
ACD/KOC (pH 7.4): 288.64
Polar Surface Area: 46 Å2
Polarizability: 56.3±0.5 10-24cm3
Surface Tension: 47.5±3.0 dyne/cm
Molar Volume: 416.1±3.0 cm3

Click to predict properties on the Chemicalize site


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