4-[2-({4-[(1S)-1-(4-Isobutylphenyl)Ethoxy]-2,3-Dimethylbenzoyl}Amino)Phenoxy]Butanoic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C28H43NO5
IUPAC Name 4-[(1s)-1-(4-isobutylphenyl)ethoxy]-2,3-dimethyl-n-[(z)-1-methyl-2-propoxy-prop-1-enyl]benzamide dihydrate
Molecular Mass 473.645 g·mol−1
Heat of Formation -831.5 ± 16.7 kJ·mol−1
Dipole Moment 4.49 ± 1.08 D
Volume 638.26 Å 3
Surface Area 550.17 Å 2
HOMO Energy -8.46 ± 0.55 eV
LUMO Energy -0.32 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[2-[[2,3-dimethyl-4-[(1s)-1-[4-(2-methylpropyl)phenyl]ethoxy]benzoyl]amino]phenoxy]butanoic acid
  • 4-[2-[[2,3-dimethyl-4-[(1s)-1-[4-(2-methylpropyl)phenyl]ethoxy]phenyl]carbonylamino]phenoxy]butanoic acid
  • 4-[2-[[4-[(1s)-1-(4-isobutylphenyl)ethoxy]-2,3-dimethyl-benzoyl]amino]phenoxy]butanoic acid
  • 4-[2-[[4-[(1s)-1-(4-isobutylphenyl)ethoxy]-2,3-dimethyl-benzoyl]amino]phenoxy]butyric acid
  • 4-[2-[[[4-[(1s)-1-(4-isobutylphenyl)ethoxy]-2,3-dimethylphenyl]-oxomethyl]amino]phenoxy]butanoic acid
InChIKey XWNSOVPLENXWNU-QHCPKHFHSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N