ChemSpider 2D Image | N-Cyclopropyl-N-{[(3S,4S)-4-({isopropyl[4-methoxy-3-(3-methoxypropoxy)benzoyl]amino}methyl)-3-pyrrolidinyl]methyl}-N'-methylsuccinamide | C29H46N4O6

N-Cyclopropyl-N-{[(3S,4S)-4-({isopropyl[4-methoxy-3-(3-methoxypropoxy)benzoyl]amino}methyl)-3-pyrrolidinyl]methyl}-N'-methylsuccinamide

  • Molecular FormulaC29H46N4O6
  • Average mass546.699 Da
  • Monoisotopic mass546.341736 Da
  • ChemSpider ID10026204

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Butanediamide, N1-cyclopropyl-N1-[[(3S,4S)-4-[[[4-methoxy-3-(3-methoxypropoxy)benzoyl](1-methylethyl)amino]methyl]-3-pyrrolidinyl]methyl]-N4-methyl- [ACD/Index Name]
N-Cyclopropyl-N-{[(3S,4S)-4-({isopropyl[4-methoxy-3-(3-methoxypropoxy)benzoyl]amino}methyl)-3-pyrrolidinyl]methyl}-N'-methylsuccinamid [German] [ACD/IUPAC Name]
N-Cyclopropyl-N-{[(3S,4S)-4-({isopropyl[4-methoxy-3-(3-methoxypropoxy)benzoyl]amino}methyl)-3-pyrrolidinyl]methyl}-N'-methylsuccinamide [ACD/IUPAC Name]
N-Cyclopropyl-N-{[(3S,4S)-4-({isopropyl[4-méthoxy-3-(3-méthoxypropoxy)benzoyl]amino}méthyl)-3-pyrrolidinyl]méthyl}-N'-méthylsuccinamide [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 757.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.3±3.0 kJ/mol
Flash Point: 411.6±32.9 °C
Index of Refraction: 1.557
Molar Refractivity: 149.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 0.55
ACD/LogD (pH 5.5): -1.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.80
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.04
Polar Surface Area: 109 Å2
Polarizability: 59.3±0.5 10-24cm3
Surface Tension: 50.7±5.0 dyne/cm
Molar Volume: 464.8±5.0 cm3

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