4-[(5-Acetamido-2-Furoyl)Amino]-N-[3-(Dimethylamino)Propyl]-1-Propyl-1H-Pyrrole-2-Carboxamide

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Properties Simple | Detailed

Formula C20H29N5O4
IUPAC Name 4-[(5-acetamidofuran-2-carbonyl)amino]-n-[3-(dimethylamino)propyl]-1-propyl-pyrrol-1-ium-2-ylium-2-carboxamide
Molecular Mass 403.475 g·mol−1
Heat of Formation -530.7 ± 16.7 kJ·mol−1
Dipole Moment 7.25 ± 1.08 D
Volume 504.34 Å 3
Surface Area 450.45 Å 2
HOMO Energy -8.09 ± 0.55 eV
LUMO Energy -0.35 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-pyrrole-2-carboxamide, 4-(((5-(acetylamino)-2-furanyl)carbonyl)amino)-n-(3-(dimethylamino)propyl)-1-propyl-
  • 4-(((5-(acetylamino)-2-furanyl)carbonyl)amino)-n-(3-(dimethylamino)propyl)-1-propyl-1h-pyrrole-2-carboxamide
  • 4-[(5-acetamidofuran-2-carbonyl)amino]-n-(3-dimethylaminopropyl)-1-propyl-pyrrole-2-carboxamide
  • 4-[(5-acetamidofuran-2-carbonyl)amino]-n-(3-dimethylaminopropyl)-1-propylpyrrole-2-carboxamide
  • 4-[(5-acetamidofuran-2-yl)carbonylamino]-n-(3-dimethylaminopropyl)-1-propyl-pyrrole-2-carboxamide
  • 4-[[(5-acetamido-2-furyl)-oxomethyl]amino]-n-(3-dimethylaminopropyl)-1-propyl-2-pyrrolecarboxamide
  • lexitropsin
CAS Number(s)
  • 110124-49-7
InChIKey QUHGSDZVAPFNLV-UHFFFAOYSA-N
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