{7-[(2,2-Dimethylpropanoyl)Amino]-4,6-Dimethyl-1-Octyl-2,3-Dihydro-1H-Indol-5-Yl}Acetic Acid

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Properties Simple | Detailed

Formula C25H40N2O3
IUPAC Name 2-[(1s)-7-(2,2-dimethylpropanoylamino)-4,6-dimethyl-1-octyl-indolin-5-yl]acetic acid
Molecular Mass 416.597 g·mol−1
Heat of Formation -795.4 ± 16.7 kJ·mol−1
Dipole Moment 2.64 ± 1.08 D
Volume 564.47 Å 3
Surface Area 451.97 Å 2
HOMO Energy -8.28 ± 0.55 eV
LUMO Energy 0.23 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-indole-5-acetic acid, 7-((2,2-dimethyl-1-oxopropyl)amino)-2,3-dihydro-4,6-dimethyl-1-octyl-
  • 2-[4,6-dimethyl-1-octyl-7-(pivaloylamino)indolin-5-yl]acetic acid
  • 2-[7-(2,2-dimethylpropanoylamino)-4,6-dimethyl-1-octyl-2,3-dihydroindol-5-yl]acetic acid
  • 2-[7-(2,2-dimethylpropanoylamino)-4,6-dimethyl-1-octyl-2,3-dihydroindol-5-yl]ethanoic acid
  • 2-[7-(2,2-dimethylpropanoylamino)-4,6-dimethyl-1-octyl-indolin-5-yl]acetic acid
  • 2-[7-[(2,2-dimethyl-1-oxopropyl)amino]-4,6-dimethyl-1-octyl-5-indolinyl]acetic acid
  • pactimibe
CAS Number(s)
  • 189198-30-9
InChIKey TXIIZHHIOHVWJD-UHFFFAOYSA-N
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