ChemSpider 2D Image | 1-[(5-Chloro-2-methylphenyl)amino]-1-oxo-2-propanyl 1-(adamantan-1-ylcarbonyl)-4-hydroxyprolinate | C26H33ClN2O5

1-[(5-Chloro-2-methylphenyl)amino]-1-oxo-2-propanyl 1-(adamantan-1-ylcarbonyl)-4-hydroxyprolinate

  • Molecular FormulaC26H33ClN2O5
  • Average mass489.004 Da
  • Monoisotopic mass488.207794 Da
  • ChemSpider ID22561831

More details:

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

1-(Adamantan-1-ylcarbonyl)-4-hydroxyprolinate de 1-[(5-chloro-2-méthylphényl)amino]-1-oxo-2-propanyle [French] [ACD/IUPAC Name]
1-[(5-Chlor-2-methylphenyl)amino]-1-oxo-2-propanyl-1-(adamantan-1-ylcarbonyl)-4-hydroxyprolinat [German] [ACD/IUPAC Name]
1-[(5-Chloro-2-methylphenyl)amino]-1-oxo-2-propanyl 1-(adamantan-1-ylcarbonyl)-4-hydroxyprolinate [ACD/IUPAC Name]
Proline, 4-hydroxy-1-(tricyclo[3.3.1.13,7]dec-1-ylcarbonyl)-, 2-[(5-chloro-2-methylphenyl)amino]-1-methyl-2-oxoethyl ester [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 688.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.0±3.0 kJ/mol
Flash Point: 370.4±31.5 °C
Index of Refraction: 1.629
Molar Refractivity: 127.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.01
ACD/LogD (pH 5.5): 4.08
ACD/BCF (pH 5.5): 745.57
ACD/KOC (pH 5.5): 3960.29
ACD/LogD (pH 7.4): 4.08
ACD/BCF (pH 7.4): 745.56
ACD/KOC (pH 7.4): 3960.26
Polar Surface Area: 96 Å2
Polarizability: 50.5±0.5 10-24cm3
Surface Tension: 64.0±3.0 dyne/cm
Molar Volume: 358.5±3.0 cm3

Click to predict properties on the Chemicalize site


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