N-(Benzyloxy)-N-[(3R,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-[(3r,4s)-6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl]acetamide
Molecular Mass 366.410 g·mol−1
Heat of Formation -346.1 ± 16.7 kJ·mol−1
Dipole Moment 4.29 ± 1.08 D
Volume 438.4 Å 3
Surface Area 364.52 Å 2
HOMO Energy -9.29 ± 0.55 eV
LUMO Energy -0.54 ± 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)-, trans-
  • n-(benzyloxy)-n-[(3r,4s)-6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl]acetamide
  • n-[(3r,4s)-6-cyano-3-hydroxy-2,2-dimethyl-4-chromanyl]-n-(phenylmethoxy)acetamide
  • n-[(3r,4s)-6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl]-n-(phenylmethoxy)acetamide
  • n-[(3r,4s)-6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl]-n-(phenylmethoxy)ethanamide
  • n-[(3r,4s)-6-cyano-3-hydroxy-2,2-dimethylchroman-4-yl]-n-(phenylmethoxy)acetamide
  • trans-4-(n-acetyl-n-benzyloxy)amino-6-cyano-3,4-dihydro-2,2-dimethyl-2h-1-benzopyran-3-ol
CAS Number(s)
  • 149654-54-6
InChIKey RHFUXPCCELGMFC-VQTJNVASSA-N
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