Found 308 results

Search term: MF = 'C_{30}H_{44}N_{2}O_{3}'
ChemSpider 2D Image | TCMDC-136556 | C30H44N2O3

TCMDC-136556

  • Molecular FormulaC30H44N2O3
  • Average mass480.682 Da
  • Monoisotopic mass480.335205 Da
  • ChemSpider ID24576546

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

3-(Cyclopropylmethoxy)-N-{(2S,3R)-4-[(2,6-dimethyl-2-heptanyl)amino]-3-hydroxy-1-phenyl-2-butanyl}benzamid [German] [ACD/IUPAC Name]
3-(Cyclopropylmethoxy)-N-{(2S,3R)-4-[(2,6-dimethyl-2-heptanyl)amino]-3-hydroxy-1-phenyl-2-butanyl}benzamide [ACD/IUPAC Name]
3-(Cyclopropylméthoxy)-N-{(2S,3R)-4-[(2,6-diméthyl-2-heptanyl)amino]-3-hydroxy-1-phényl-2-butanyl}benzamide [French] [ACD/IUPAC Name]
3-(Cyclopropylmethoxy)-N-{(2S,3R)-4-[(2,6-dimethylheptan-2-yl)amino]-3-hydroxy-1-phenylbutan-2-yl}benzamide
Benzamide, 3-(cyclopropylmethoxy)-N-[(1S,2R)-2-hydroxy-1-(phenylmethyl)-3-[(1,1,5-trimethylhexyl)amino]propyl]- [ACD/Index Name]
TCMDC-136556
  • Miscellaneous

    • Bio Activity:

      XC50_3D7 (uM) (Plasmodium Falciparum, Malaria): 0.843448345 GlaxoSmithKline Malaria Set

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

Density: 1.1±0.1 g/cm3
Boiling Point: 662.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.4±3.0 kJ/mol
Flash Point: 354.5±31.5 °C
Index of Refraction: 1.551
Molar Refractivity: 143.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 6.53
ACD/LogD (pH 5.5): 2.94
ACD/BCF (pH 5.5): 18.55
ACD/KOC (pH 5.5): 37.79
ACD/LogD (pH 7.4): 3.76
ACD/BCF (pH 7.4): 121.12
ACD/KOC (pH 7.4): 246.84
Polar Surface Area: 71 Å2
Polarizability: 56.9±0.5 10-24cm3
Surface Tension: 43.1±3.0 dyne/cm
Molar Volume: 449.3±3.0 cm3

Click to predict properties on the Chemicalize site


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