ChemSpider 2D Image | N-(2-{4-[Isopropyl(methyl)carbamoyl]-1-piperidinyl}-2-oxoethyl)-N~2~-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-valinamide | C22H40N4O5

N-(2-{4-[Isopropyl(methyl)carbamoyl]-1-piperidinyl}-2-oxoethyl)-N2-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-valinamide

  • Molecular FormulaC22H40N4O5
  • Average mass440.577 Da
  • Monoisotopic mass440.299866 Da
  • ChemSpider ID65094035
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

Carbamic acid, N-[(1S)-2-methyl-1-[[[2-[4-[[methyl(1-methylethyl)amino]carbonyl]-1-piperidinyl]-2-oxoethyl]amino]carbonyl]propyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
N-(2-{4-[Isopropyl(methyl)carbamoyl]-1-piperidinyl}-2-oxoethyl)-N2-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-valinamid [German] [ACD/IUPAC Name]
N-(2-{4-[Isopropyl(methyl)carbamoyl]-1-piperidinyl}-2-oxoethyl)-N2-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-valinamide [ACD/IUPAC Name]
N-(2-{4-[Isopropyl(méthyl)carbamoyl]-1-pipéridinyl}-2-oxoéthyl)-N2-{[(2-méthyl-2-propanyl)oxy]carbonyl}-L-valinamide [French] [ACD/IUPAC Name]
TERT-BUTYL N-[(1S)-1-[(2-{4-[ISOPROPYL(METHYL)CARBAMOYL]PIPERIDIN-1-YL}-2-OXOETHYL)CARBAMOYL]-2-METHYLPROPYL]CARBAMATE
TERT-BUTYL N-[(1S)-2-METHYL-1-[(2-{4-[METHYL(PROPAN-2-YL)CARBAMOYL]PIPERIDIN-1-YL}-2-OXOETHYL)CARBAMOYL]PROPYL]CARBAMATE

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

Density: 1.1±0.1 g/cm3
Boiling Point: 647.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.5±3.0 kJ/mol
Flash Point: 345.6±31.5 °C
Index of Refraction: 1.499
Molar Refractivity: 117.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 1.96
ACD/LogD (pH 5.5): 1.82
ACD/BCF (pH 5.5): 14.26
ACD/KOC (pH 5.5): 233.20
ACD/LogD (pH 7.4): 1.82
ACD/BCF (pH 7.4): 14.26
ACD/KOC (pH 7.4): 233.14
Polar Surface Area: 108 Å2
Polarizability: 46.7±0.5 10-24cm3
Surface Tension: 41.8±3.0 dyne/cm
Molar Volume: 401.3±3.0 cm3

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