N-(Benzyloxy)-N-[(3S,4S)-6-Cyano-3-Hydroxy-2,2-Dimethyl-3,4-Dihydro-2H-Chromen-4-Yl]Acetamide

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Properties Simple | Detailed

Formula C21H22N2O4
IUPAC Name n-benzyloxy-n-[(3s,4s)-6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl]acetamide
Molecular Mass 366.410 g·mol−1
Heat of Formation -334.0 ± 16.7 kJ·mol−1
Dipole Moment 6.79 ± 1.08 D
Volume 440.12 Å 3
Surface Area 369.82 Å 2
HOMO Energy -9.18 ± 0.55 eV
LUMO Energy -0.52 ± eV
Point Group Symmetry C1
Synonyms
  • acetamide, n-(6-cyano-3,4-dihydro-3-hydroxy-2,2-dimethyl-2h-1-benzopyran-4-yl)-n-(phenylmethoxy)-, (3s-trans)-
  • n-(benzyloxy)-n-[(3s,4s)-6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl]acetamide
  • n-[(3s,4s)-6-cyano-3-hydroxy-2,2-dimethyl-4-chromanyl]-n-(phenylmethoxy)acetamide
  • n-[(3s,4s)-6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl]-n-(phenylmethoxy)acetamide
  • n-[(3s,4s)-6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl]-n-(phenylmethoxy)ethanamide
  • n-[(3s,4s)-6-cyano-3-hydroxy-2,2-dimethylchroman-4-yl]-n-(phenylmethoxy)acetamide
  • y 27152
CAS Number(s)
  • 127408-30-4
InChIKey RHFUXPCCELGMFC-PMACEKPBSA-N
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