ChemSpider 2D Image | 2-Methyl-2-propanyl [4-({1-[(3R,4S)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl]-3-phenyl-2-propanyl}amino)-4-oxobutyl]carbamate | C31H45N3O4

2-Methyl-2-propanyl [4-({1-[(3R,4S)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl]-3-phenyl-2-propanyl}amino)-4-oxobutyl]carbamate

  • Molecular FormulaC31H45N3O4
  • Average mass523.707 Da
  • Monoisotopic mass523.341003 Da
  • ChemSpider ID8068673

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

[4-({1-[(3R,4S)-4-(3-Hydroxyphényl)-3,4-diméthyl-1-pipéridinyl]-3-phényl-2-propanyl}amino)-4-oxobutyl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [4-({1-[(3R,4S)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl]-3-phenyl-2-propanyl}amino)-4-oxobutyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[4-({1-[(3R,4S)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl]-3-phenyl-2-propanyl}amino)-4-oxobutyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[4-[[2-[(3R,4S)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl]-1-(phenylmethyl)ethyl]amino]-4-oxobutyl]-, 1,1-dimethylethyl ester [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 710.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.6±3.0 kJ/mol
Flash Point: 383.5±32.9 °C
Index of Refraction: 1.542
Molar Refractivity: 151.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 4.97
ACD/LogD (pH 5.5): 2.20
ACD/BCF (pH 5.5): 5.80
ACD/KOC (pH 5.5): 19.40
ACD/LogD (pH 7.4): 3.76
ACD/BCF (pH 7.4): 211.57
ACD/KOC (pH 7.4): 708.06
Polar Surface Area: 91 Å2
Polarizability: 60.0±0.5 10-24cm3
Surface Tension: 42.4±3.0 dyne/cm
Molar Volume: 480.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement