ChemSpider 2D Image | N-{[(3S,4S)-4-(Cyclohexylamino)-3-pyrrolidinyl]methyl}-N-isopropyl-4-methoxy-3-(3-methoxypropoxy)benzamide | C26H43N3O4

N-{[(3S,4S)-4-(Cyclohexylamino)-3-pyrrolidinyl]methyl}-N-isopropyl-4-methoxy-3-(3-methoxypropoxy)benzamide

  • Molecular FormulaC26H43N3O4
  • Average mass461.637 Da
  • Monoisotopic mass461.325348 Da
  • ChemSpider ID58991993

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Benzamide, N-[[(3S,4S)-4-(cyclohexylamino)-3-pyrrolidinyl]methyl]-4-methoxy-3-(3-methoxypropoxy)-N-(1-methylethyl)- [ACD/Index Name]
N-{[(3S,4S)-4-(Cyclohexylamino)-3-pyrrolidinyl]methyl}-N-isopropyl-4-methoxy-3-(3-methoxypropoxy)benzamid [German] [ACD/IUPAC Name]
N-{[(3S,4S)-4-(Cyclohexylamino)-3-pyrrolidinyl]methyl}-N-isopropyl-4-methoxy-3-(3-methoxypropoxy)benzamide [ACD/IUPAC Name]
N-{[(3S,4S)-4-(Cyclohexylamino)-3-pyrrolidinyl]méthyl}-N-isopropyl-4-méthoxy-3-(3-méthoxypropoxy)benzamide [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: 611.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 90.8±3.0 kJ/mol
Flash Point: 323.8±31.5 °C
Index of Refraction: 1.545
Molar Refractivity: 131.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 3.29
ACD/LogD (pH 5.5): -0.85
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.26
Polar Surface Area: 72 Å2
Polarizability: 52.2±0.5 10-24cm3
Surface Tension: 45.7±5.0 dyne/cm
Molar Volume: 416.7±5.0 cm3

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