ChemSpider 2D Image | 2-Methyl-2-propanyl (3-{[(1-{4-[4-(2-methyl-2-propanyl)phenoxy]butanoyl}-4-piperidinyl)methyl]amino}-3-oxopropyl)carbamate | C28H45N3O5

2-Methyl-2-propanyl (3-{[(1-{4-[4-(2-methyl-2-propanyl)phenoxy]butanoyl}-4-piperidinyl)methyl]amino}-3-oxopropyl)carbamate

  • Molecular FormulaC28H45N3O5
  • Average mass503.674 Da
  • Monoisotopic mass503.335907 Da
  • ChemSpider ID34638334

More details:

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

(3-{[(1-{4-[4-(2-Méthyl-2-propanyl)phénoxy]butanoyl}-4-pipéridinyl)méthyl]amino}-3-oxopropyl)carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl (3-{[(1-{4-[4-(2-methyl-2-propanyl)phenoxy]butanoyl}-4-piperidinyl)methyl]amino}-3-oxopropyl)carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(3-{[(1-{4-[4-(2-methyl-2-propanyl)phenoxy]butanoyl}-4-piperidinyl)methyl]amino}-3-oxopropyl)carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[3-[[[1-[4-[4-(1,1-dimethylethyl)phenoxy]-1-oxobutyl]-4-piperidinyl]methyl]amino]-3-oxopropyl]-, 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: 705.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.3±3.0 kJ/mol
Flash Point: 380.7±31.5 °C
Index of Refraction: 1.512
Molar Refractivity: 140.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 4.37
ACD/LogD (pH 5.5): 4.30
ACD/BCF (pH 5.5): 1095.43
ACD/KOC (pH 5.5): 5215.96
ACD/LogD (pH 7.4): 4.30
ACD/BCF (pH 7.4): 1095.41
ACD/KOC (pH 7.4): 5215.88
Polar Surface Area: 97 Å2
Polarizability: 55.7±0.5 10-24cm3
Surface Tension: 40.8±3.0 dyne/cm
Molar Volume: 468.3±3.0 cm3

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