ChemSpider 2D Image | N-({(3S,4S)-4-[(Cyclohexylcarbonyl)amino]-3-pyrrolidinyl}methyl)-N-isopropyl-4-methoxy-3-(3-methoxypropoxy)benzamide | C27H43N3O5

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

  • Molecular FormulaC27H43N3O5
  • Average mass489.647 Da
  • Monoisotopic mass489.320282 Da
  • ChemSpider ID58992644

  • 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-[(cyclohexylcarbonyl)amino]-3-pyrrolidinyl]methyl]-4-methoxy-3-(3-methoxypropoxy)-N-(1-methylethyl)- [ACD/Index Name]
N-({(3S,4S)-4-[(Cyclohexylcarbonyl)amino]-3-pyrrolidinyl}methyl)-N-isopropyl-4-methoxy-3-(3-methoxypropoxy)benzamid [German] [ACD/IUPAC Name]
N-({(3S,4S)-4-[(Cyclohexylcarbonyl)amino]-3-pyrrolidinyl}methyl)-N-isopropyl-4-methoxy-3-(3-methoxypropoxy)benzamide [ACD/IUPAC Name]
N-({(3S,4S)-4-[(Cyclohexylcarbonyl)amino]-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: 688.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.0±3.0 kJ/mol
Flash Point: 370.4±31.5 °C
Index of Refraction: 1.548
Molar Refractivity: 136.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 2.97
ACD/LogD (pH 5.5): 0.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.11
ACD/LogD (pH 7.4): 1.39
ACD/BCF (pH 7.4): 2.81
ACD/KOC (pH 7.4): 25.95
Polar Surface Area: 89 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 47.6±5.0 dyne/cm
Molar Volume: 429.6±5.0 cm3

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