ChemSpider 2D Image | 1-[N-({[(1R,2R,5S)-2-Isopropyl-5-methylcyclohexyl]oxy}acetyl)glycyl]-N-(4-methoxyphenyl)-4-piperidinecarboxamide | C27H41N3O5

1-[N-({[(1R,2R,5S)-2-Isopropyl-5-methylcyclohexyl]oxy}acetyl)glycyl]-N-(4-methoxyphenyl)-4-piperidinecarboxamide

  • Molecular FormulaC27H41N3O5
  • Average mass487.632 Da
  • Monoisotopic mass487.304626 Da
  • ChemSpider ID22840725

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

1-[N-({[(1R,2R,5S)-2-Isopropyl-5-methylcyclohexyl]oxy}acetyl)glycyl]-N-(4-methoxyphenyl)-4-piperidincarboxamid [German] [ACD/IUPAC Name]
1-[N-({[(1R,2R,5S)-2-Isopropyl-5-methylcyclohexyl]oxy}acetyl)glycyl]-N-(4-methoxyphenyl)-4-piperidinecarboxamide [ACD/IUPAC Name]
1-[N-(2-{[(1R,2R,5S)-2-Isopropyl-5-méthylcyclohexyl]oxy}acétyl)glycyl]-N-(4-méthoxyphényl)-4-pipéridinecarboxamide [French] [ACD/IUPAC Name]
4-Piperidinecarboxamide, N-(4-methoxyphenyl)-1-[2-[[2-[[(1R,2R,5S)-5-methyl-2-(1-methylethyl)cyclohexyl]oxy]acetyl]amino]acetyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 727.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.2±3.0 kJ/mol
Flash Point: 393.8±32.9 °C
Index of Refraction: 1.553
Molar Refractivity: 134.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.43
ACD/LogD (pH 5.5): 4.02
ACD/BCF (pH 5.5): 670.03
ACD/KOC (pH 5.5): 3668.66
ACD/LogD (pH 7.4): 4.02
ACD/BCF (pH 7.4): 670.09
ACD/KOC (pH 7.4): 3669.00
Polar Surface Area: 97 Å2
Polarizability: 53.4±0.5 10-24cm3
Surface Tension: 48.6±5.0 dyne/cm
Molar Volume: 421.5±5.0 cm3

Click to predict properties on the Chemicalize site


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