N-{[(2R)-1-Butyl-2-Pyrrolidinyl]Methyl}-4-Cyano-1-Methoxy-2-Naphthamide

Molecule SVG Image

Properties Simple | Detailed

Formula C22H27N3O2
IUPAC Name n-[[(2r)-1-butylpyrrolidin-2-yl]methyl]-4-cyano-1-methoxy-naphthalene-2-carboxamide
Molecular Mass 365.469 g·mol−1
Heat of Formation -133.2 ± 16.7 kJ·mol−1
Dipole Moment 3.91 ± 1.08 D
Volume 465.44 Å 3
Surface Area 407.31 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy -1.14 ± eV
Point Group Symmetry C1
Synonyms
  • n-[[(2r)-1-butyl-2-pyrrolidinyl]methyl]-4-cyano-1-methoxy-2-naphthalenecarboxamide
  • n-[[(2r)-1-butylpyrrolidin-2-yl]methyl]-4-cyano-1-methoxy-2-naphthamide
  • n-[[(2r)-1-butylpyrrolidin-2-yl]methyl]-4-cyano-1-methoxy-naphthalene-2-carboxamide
  • n-[[(2r)-1-butylpyrrolidin-2-yl]methyl]-4-cyano-1-methoxynaphthalene-2-carboxamide
  • tocris-1347
InChIKey IDZASIQMRGPBCQ-QGZVFWFLSA-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