ChemSpider 2D Image | 1-(3-Acetyl-4-{(2R)-2-hydroxy-3-[(2-methyl-2-propanyl)amino]propoxy}phenyl)-3-(2-methyl-2-propanyl)urea | C20H33N3O4

1-(3-Acetyl-4-{(2R)-2-hydroxy-3-[(2-methyl-2-propanyl)amino]propoxy}phenyl)-3-(2-methyl-2-propanyl)urea

  • Molecular FormulaC20H33N3O4
  • Average mass379.494 Da
  • Monoisotopic mass379.247101 Da
  • ChemSpider ID34988406

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-(3-Acetyl-4-{(2R)-2-hydroxy-3-[(2-methyl-2-propanyl)amino]propoxy}phenyl)-3-(2-methyl-2-propanyl)harnstoff [German] [ACD/IUPAC Name]
1-(3-Acetyl-4-{(2R)-2-hydroxy-3-[(2-methyl-2-propanyl)amino]propoxy}phenyl)-3-(2-methyl-2-propanyl)urea [ACD/IUPAC Name]
1-(3-Acétyl-4-{(2R)-2-hydroxy-3-[(2-méthyl-2-propanyl)amino]propoxy}phényl)-3-(2-méthyl-2-propanyl)urée [French] [ACD/IUPAC Name]
Urea, N-[3-acetyl-4-[(2R)-3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]phenyl]-N'-(1,1-dimethylethyl)- [ACD/Index Name]
57471-01-9 [RN]
UNII-97WKI06KTX

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

N-111 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 526.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.3±3.0 kJ/mol
Flash Point: 272.0±30.1 °C
Index of Refraction: 1.541
Molar Refractivity: 107.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.43
ACD/LogD (pH 5.5): -0.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.60
Polar Surface Area: 100 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 42.0±3.0 dyne/cm
Molar Volume: 342.2±3.0 cm3

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