N-[(2S,3R)-1-(3,5-Difluorophenyl)-3-Hydroxy-4-({1-[3-(2-Methyl-2-Propanyl)Phenyl]Cyclohexyl}Amino)-2-Butanyl]Acetamide

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Properties Simple | Detailed

Formula C28H38F2N2O2
IUPAC Name n-[(1s,2r)-3-[[1-(3-tert-butylphenyl)cyclohexyl]amino]-1-[(3,5-difluorophenyl)methyl]-2-hydroxy-propyl]acetamide
Molecular Mass 472.610 g·mol−1
Heat of Formation -838.3 ± 16.7 kJ·mol−1
Dipole Moment 4.02 ± 1.08 D
Volume 597.94 Å 3
Surface Area 421.93 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy 2.60 ± eV
Point Group Symmetry C1
Synonyms
  • n-[(1s,2r)-3-[[1-(3-tert-butylphenyl)cyclohexyl]amino]-1-(3,5-difluorobenzyl)-2-hydroxy-propyl]acetamide
  • n-[(1s,2r)-3-[[1-(3-tert-butylphenyl)cyclohexyl]amino]-1-[(3,5-difluorophenyl)methyl]-2-hydroxy-propyl]acetamide
  • n-[(1s,2r)-3-[[1-(3-tert-butylphenyl)cyclohexyl]amino]-1-[(3,5-difluorophenyl)methyl]-2-hydroxypropyl]acetamide
  • n-[(2s,3r)-4-[[1-(3-tert-butylphenyl)cyclohexyl]amino]-1-(3,5-difluorophenyl)-3-hydroxy-butan-2-yl]ethanamide
  • n-[(2s,3r)-4-[[1-(3-tert-butylphenyl)cyclohexyl]amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]acetamide
InChIKey RJXIEHBFRZLGTH-IZZNHLLZSA-N
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