ChemSpider 2D Image | 1-{3-[(4-{3-[Cyclohexyl(methyl)amino]-2-hydroxypropoxy}-3-methoxybenzyl)amino]propyl}-2-pyrrolidinone | C25H41N3O4

1-{3-[(4-{3-[Cyclohexyl(methyl)amino]-2-hydroxypropoxy}-3-methoxybenzyl)amino]propyl}-2-pyrrolidinone

  • Molecular FormulaC25H41N3O4
  • Average mass447.611 Da
  • Monoisotopic mass447.309692 Da
  • ChemSpider ID22216880

More details:

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

1-{3-[(4-{3-[Cyclohexyl(methyl)amino]-2-hydroxypropoxy}-3-methoxybenzyl)amino]propyl}-2-pyrrolidinon [German] [ACD/IUPAC Name]
1-{3-[(4-{3-[Cyclohexyl(methyl)amino]-2-hydroxypropoxy}-3-methoxybenzyl)amino]propyl}-2-pyrrolidinone [ACD/IUPAC Name]
1-{3-[(4-{3-[Cyclohexyl(méthyl)amino]-2-hydroxypropoxy}-3-méthoxybenzyl)amino]propyl}-2-pyrrolidinone [French] [ACD/IUPAC Name]
2-Pyrrolidinone, 1-[3-[[[4-[3-(cyclohexylmethylamino)-2-hydroxypropoxy]-3-methoxyphenyl]methyl]amino]propyl]- [ACD/Index Name]
1-(3-{[(4-{3-[CYCLOHEXYL(METHYL)AMINO]-2-HYDROXYPROPOXY}-3-METHOXYPHENYL)METHYL]AMINO}PROPYL)PYRROLIDIN-2-ONE

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

Density: 1.1±0.1 g/cm3
Boiling Point: 639.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.3±3.0 kJ/mol
Flash Point: 340.7±31.5 °C
Index of Refraction: 1.566
Molar Refractivity: 127.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 0
ACD/LogP: 2.54
ACD/LogD (pH 5.5): -1.81
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 74 Å2
Polarizability: 50.4±0.5 10-24cm3
Surface Tension: 51.2±5.0 dyne/cm
Molar Volume: 389.5±5.0 cm3

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