2-Acetoxy-5-[N-Benzyl-N-(2-Methyl-2-Propanyl)Glycyl]Benzyl Acetate

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Properties Simple | Detailed

Formula C24H29NO5
IUPAC Name [2-acetoxy-5-[2-[benzyl(tert-butyl)amino]acetyl]phenyl]methyl acetate
Molecular Mass 411.491 g·mol−1
Heat of Formation -800.5 ± 16.7 kJ·mol−1
Dipole Moment 1.83 ± 1.08 D
Volume 510.89 Å 3
Surface Area 375.69 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy -0.26 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(n-benzyl-n-tert-butylamino)-4'-hydroxy-3'-hydroxymethylacetophenone diacetate
  • [2-(acetoxymethyl)-4-[2-(tert-butyl-(phenylmethyl)amino)acetyl]phenyl] acetate
  • [2-(acetyloxymethyl)-4-[2-(tert-butyl-(phenylmethyl)amino)acetyl]phenyl] acetate
  • [2-(acetyloxymethyl)-4-[2-(tert-butyl-(phenylmethyl)amino)ethanoyl]phenyl] ethanoate
  • acetic acid [2-(acetoxymethyl)-4-[2-(benzyl-tert-butyl-amino)acetyl]phenyl] ester
  • acetic acid [2-(acetoxymethyl)-4-[2-(tert-butyl-(phenylmethyl)amino)-1-oxoethyl]phenyl] ester
  • ethanone, 1-(4-(acetyloxy)-3-((acetyloxy)methyl)phenyl)-2-((1,1-dimethylethyl)(phenylmethyl)amino)-
  • glycyl compound
CAS Number(s)
  • 77430-27-4
InChIKey NCQOUEUIEVCLCE-UHFFFAOYSA-N
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