ChemSpider 2D Image | 2-Methyl-2-propanyl {(2S)-1-[4-({(2S)-1-[(4-methylphenyl)amino]-1-oxo-2-propanyl}carbamoyl)-1-piperidinyl]-1-oxo-3-phenyl-2-propanyl}carbamate | C30H40N4O5

2-Methyl-2-propanyl {(2S)-1-[4-({(2S)-1-[(4-methylphenyl)amino]-1-oxo-2-propanyl}carbamoyl)-1-piperidinyl]-1-oxo-3-phenyl-2-propanyl}carbamate

  • Molecular FormulaC30H40N4O5
  • Average mass536.662 Da
  • Monoisotopic mass536.299866 Da
  • ChemSpider ID17465254
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

{(2S)-1-[4-({(2S)-1-[(4-Méthylphényl)amino]-1-oxo-2-propanyl}carbamoyl)-1-pipéridinyl]-1-oxo-3-phényl-2-propanyl}carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl {(2S)-1-[4-({(2S)-1-[(4-methylphenyl)amino]-1-oxo-2-propanyl}carbamoyl)-1-piperidinyl]-1-oxo-3-phenyl-2-propanyl}carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-{(2S)-1-[4-({(2S)-1-[(4-methylphenyl)amino]-1-oxo-2-propanyl}carbamoyl)-1-piperidinyl]-1-oxo-3-phenyl-2-propanyl}carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1S)-2-[4-[[[(1S)-1-methyl-2-[(4-methylphenyl)amino]-2-oxoethyl]amino]carbonyl]-1-piperidinyl]-2-oxo-1-(phenylmethyl)ethyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
956955-96-7 [RN]
C30H40N4O5
tert-butyl ((S)-1-oxo-1-(4-(((S)-1-oxo-1-(p-tolylamino)propan-2-yl)carbamoyl)piperidin-1-yl)-3-phenylpropan-2-yl)carbamate
tert-butyl {(2S)-1-[4-({(2S)-1-[(4-methylphenyl)amino]-1-oxopropan-2-yl}carbamoyl)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl}carbamate
TERT-BUTYL N-[(2S)-1-(4-{[(1S)-1-[(4-METHYLPHENYL)CARBAMOYL]ETHYL]CARBAMOYL}PIPERIDIN-1-YL)-1-OXO-3-PHENYLPROPAN-2-YL]CARBAMATE
tert-butyl N-[(2S)-1-[4-[[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl]carbamoyl]piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 805.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 117.1±3.0 kJ/mol
Flash Point: 440.9±34.3 °C
Index of Refraction: 1.576
Molar Refractivity: 149.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.11
ACD/LogD (pH 5.5): 3.58
ACD/BCF (pH 5.5): 309.08
ACD/KOC (pH 5.5): 2108.58
ACD/LogD (pH 7.4): 3.58
ACD/BCF (pH 7.4): 309.06
ACD/KOC (pH 7.4): 2108.46
Polar Surface Area: 117 Å2
Polarizability: 59.3±0.5 10-24cm3
Surface Tension: 51.3±3.0 dyne/cm
Molar Volume: 451.9±3.0 cm3

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