ChemSpider 2D Image | N~2~-[3-(4-Methoxy-3-methylphenyl)-4-methylpentanoyl]-N-[4-(4-methyl-1-piperidinyl)phenyl]methioninamide | C31H45N3O3S

N2-[3-(4-Methoxy-3-methylphenyl)-4-methylpentanoyl]-N-[4-(4-methyl-1-piperidinyl)phenyl]methioninamide

  • Molecular FormulaC31H45N3O3S
  • Average mass539.772 Da
  • Monoisotopic mass539.318176 Da
  • ChemSpider ID120750483

More details:

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

Benzenepropanamide, 4-methoxy-3-methyl-β-(1-methylethyl)-N-[1-[[[4-(4-methyl-1-piperidinyl)phenyl]amino]carbonyl]-3-(methylthio)propyl]- [ACD/Index Name]
N2-[3-(4-Methoxy-3-methylphenyl)-4-methylpentanoyl]-N-[4-(4-methyl-1-piperidinyl)phenyl]methioninamid [German] [ACD/IUPAC Name]
N2-[3-(4-Methoxy-3-methylphenyl)-4-methylpentanoyl]-N-[4-(4-methyl-1-piperidinyl)phenyl]methioninamide [ACD/IUPAC Name]
N2-[3-(4-Méthoxy-3-méthylphényl)-4-méthylpentanoyl]-N-[4-(4-méthyl-1-pipéridinyl)phényl]méthioninamide [French] [ACD/IUPAC 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: 765.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.4±3.0 kJ/mol
Flash Point: 416.6±32.9 °C
Index of Refraction: 1.570
Molar Refractivity: 159.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 6.11
ACD/LogD (pH 5.5): 5.15
ACD/BCF (pH 5.5): 3222.02
ACD/KOC (pH 5.5): 7020.81
ACD/LogD (pH 7.4): 5.85
ACD/BCF (pH 7.4): 16247.15
ACD/KOC (pH 7.4): 35402.71
Polar Surface Area: 96 Å2
Polarizability: 63.1±0.5 10-24cm3
Surface Tension: 45.5±3.0 dyne/cm
Molar Volume: 485.7±3.0 cm3

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