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

Molecule SVG Image

Properties Simple | Detailed

Formula C21H22N2O4
IUPAC Name n-benzyloxy-n-[(3s,4r)-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 4.27 ± 1.08 D
Volume 440.94 Å 3
Surface Area 366.7 Å 2
HOMO Energy -9.29 ± 0.55 eV
LUMO Energy -0.54 ± eV
Point Group Symmetry C1
Synonyms
  • n-(benzyloxy)-n-[(3s,4r)-6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl]acetamide
  • n-[(3s,4r)-6-cyano-3-hydroxy-2,2-dimethyl-4-chromanyl]-n-(phenylmethoxy)acetamide
  • n-[(3s,4r)-6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl]-n-(phenylmethoxy)acetamide
  • n-[(3s,4r)-6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl]-n-(phenylmethoxy)ethanamide
  • n-[(3s,4r)-6-cyano-3-hydroxy-2,2-dimethylchroman-4-yl]-n-(phenylmethoxy)acetamide
  • y-27152
InChIKey RHFUXPCCELGMFC-UXHICEINSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N