ChemSpider 2D Image | N-[(trans-4-Aminocyclohexyl)methyl]-1-[(9-hydroxy-9H-fluoren-9-yl)carbonyl]-L-prolinamide | C26H31N3O3

N-[(trans-4-Aminocyclohexyl)methyl]-1-[(9-hydroxy-9H-fluoren-9-yl)carbonyl]-L-prolinamide

  • Molecular FormulaC26H31N3O3
  • Average mass433.543 Da
  • Monoisotopic mass433.236542 Da
  • ChemSpider ID23258014
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

2-Pyrrolidinecarboxamide, N-[(trans-4-aminocyclohexyl)methyl]-1-[(9-hydroxy-9H-fluoren-9-yl)carbonyl]-, (2S)- [ACD/Index Name]
N-[(trans-4-Aminocyclohexyl)methyl]-1-[(9-hydroxy-9H-fluoren-9-yl)carbonyl]-L-prolinamid [German] [ACD/IUPAC Name]
N-[(trans-4-Aminocyclohexyl)methyl]-1-[(9-hydroxy-9H-fluoren-9-yl)carbonyl]-L-prolinamide [ACD/IUPAC Name]
N-[(trans-4-Aminocyclohexyl)méthyl]-1-[(9-hydroxy-9H-fluorén-9-yl)carbonyl]-L-prolinamide [French] [ACD/IUPAC Name]
(2S)-N-[(4-aminocyclohexyl)methyl]-1-[(9-hydroxy-9H-fluoren-9-yl)carbonyl]pyrrolidine-2-carboxamide
(S)-1-(9-Hydroxy-9H-fluorene-9-carbonyl)-pyrrolidine-2-carboxylic acid (4-amino-cyclohexylmethyl)-amide
CHEMBL364255

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 734.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.5±3.0 kJ/mol
Flash Point: 397.9±32.9 °C
Index of Refraction: 1.634
Molar Refractivity: 121.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.05
ACD/LogD (pH 5.5): -0.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 96 Å2
Polarizability: 48.3±0.5 10-24cm3
Surface Tension: 59.8±3.0 dyne/cm
Molar Volume: 340.9±3.0 cm3

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