4-[(2-{[(2R)-3,3-Dimethyl-2-Butanyl]Amino}-3,4-Dioxo-1-Cyclobuten-1-Yl)Amino]-3-Ethylbenzonitrile

Molecule SVG Image

Properties Simple | Detailed

Formula C19H23N3O2
IUPAC Name 4-[[3,4-dioxo-2-[[(1r)-1,2,2-trimethylpropyl]amino]cyclobuten-1-yl]amino]-3-ethyl-benzonitrile
Molecular Mass 325.405 g·mol−1
Heat of Formation -12.8 ± 16.7 kJ·mol−1
Dipole Moment 6.43 ± 1.08 D
Volume 418.75 Å 3
Surface Area 338.36 Å 2
HOMO Energy -8.36 ± 0.55 eV
LUMO Energy -1.18 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[[2-[[(2r)-3,3-dimethylbutan-2-yl]amino]-3,4-dioxo-1-cyclobutenyl]amino]-3-ethyl-benzonitrile
  • 4-[[2-[[(2r)-3,3-dimethylbutan-2-yl]amino]-3,4-dioxo-1-cyclobutenyl]amino]-3-ethylbenzonitrile
  • 4-[[3,4-diketo-2-[[(1r)-1,2,2-trimethylpropyl]amino]-1-cyclobutenyl]amino]-3-ethyl-benzonitrile
  • 4-[[3,4-dioxo-2-[[(1r)-1,2,2-trimethylpropyl]amino]-1-cyclobutenyl]amino]-3-ethyl-benzonitrile
  • 4-[[3,4-dioxo-2-[[(1r)-1,2,2-trimethylpropyl]amino]-1-cyclobutenyl]amino]-3-ethylbenzonitrile
InChIKey KDOHDKFUZYPGPN-LLVKDONJSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N