N-{[(3S,4S)-4-Benzyl-3-Pyrrolidinyl]Methyl}-N-Isopropyl-4-Methoxy-3-(3-Methoxypropoxy)Benzamide

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Properties Simple | Detailed

Formula C27H38N2O4
IUPAC Name n-[[(3s,4s)-4-benzylpyrrolidin-3-yl]methyl]-n-isopropyl-4-methoxy-3-(3-methoxypropoxy)benzamide
Molecular Mass 454.602 g·mol−1
Heat of Formation -567.0 ± 16.7 kJ·mol−1
Dipole Moment 3.99 ± 1.08 D
Volume 591.22 Å 3
Surface Area 499.97 Å 2
HOMO Energy -8.65 ± 0.55 eV
LUMO Energy 2.94 ± eV
Point Group Symmetry C1
Synonyms
  • 4-methoxy-3-(3-methoxypropoxy)-n-[[(3s,4s)-4-(phenylmethyl)pyrrolidin-3-yl]methyl]-n-propan-2-yl-benzamide
  • n-[[(3s,4s)-4-(benzyl)pyrrolidin-3-yl]methyl]-n-isopropyl-4-methoxy-3-(3-methoxypropoxy)benzamide
  • n-isopropyl-4-methoxy-3-(3-methoxypropoxy)-n-[[(3s,4s)-4-(phenylmethyl)-3-pyrrolidinyl]methyl]benzamide
  • n-isopropyl-4-methoxy-3-(3-methoxypropoxy)-n-[[(3s,4s)-4-(phenylmethyl)pyrrolidin-3-yl]methyl]benzamide
InChIKey PHCCFIGNVNPMML-RPWUZVMVSA-N
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