ChemSpider 2D Image | N-({(3S,4S)-4-[(Cyclohexylacetyl)amino]-3-pyrrolidinyl}methyl)-N-isopropyl-4-methoxy-3-(3-methoxypropoxy)benzamide | C28H45N3O5

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

  • Molecular FormulaC28H45N3O5
  • Average mass503.674 Da
  • Monoisotopic mass503.335907 Da
  • ChemSpider ID58992647

  • 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-[(2-cyclohexylacetyl)amino]-3-pyrrolidinyl]methyl]-4-methoxy-3-(3-methoxypropoxy)-N-(1-methylethyl)- [ACD/Index Name]
N-({(3S,4S)-4-[(2-Cyclohexylacétyl)amino]-3-pyrrolidinyl}méthyl)-N-isopropyl-4-méthoxy-3-(3-méthoxypropoxy)benzamide [French] [ACD/IUPAC Name]
N-({(3S,4S)-4-[(Cyclohexylacetyl)amino]-3-pyrrolidinyl}methyl)-N-isopropyl-4-methoxy-3-(3-methoxypropoxy)benzamid [German] [ACD/IUPAC Name]
N-({(3S,4S)-4-[(Cyclohexylacetyl)amino]-3-pyrrolidinyl}methyl)-N-isopropyl-4-methoxy-3-(3-methoxypropoxy)benzamide [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: 697.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.2±3.0 kJ/mol
Flash Point: 375.7±31.5 °C
Index of Refraction: 1.546
Molar Refractivity: 141.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 3.50
ACD/LogD (pH 5.5): 0.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.82
ACD/LogD (pH 7.4): 1.79
ACD/BCF (pH 7.4): 5.68
ACD/KOC (pH 7.4): 43.20
Polar Surface Area: 89 Å2
Polarizability: 55.9±0.5 10-24cm3
Surface Tension: 47.3±5.0 dyne/cm
Molar Volume: 445.7±5.0 cm3

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