2-(2-{(1R,2R)-2-(Dimethylamino)-1-Hydroxy-1-[2-Methoxy-5-(2-Methyl-2-Propanyl)Phenyl]Propyl}Phenoxy)Acetamide

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Properties Simple | Detailed

Formula C24H34N2O4
IUPAC Name 2-[2-[(1r,2r)-1-(5-tert-butyl-2-methoxy-phenyl)-2-(dimethylamino)-1-hydroxy-propyl]phenoxy]acetamide
Molecular Mass 414.538 g·mol−1
Heat of Formation -637.5 ± 16.7 kJ·mol−1
Dipole Moment 4.58 ± 1.08 D
Volume 526.37 Å 3
Surface Area 387.66 Å 2
HOMO Energy -8.16 ± 0.55 eV
LUMO Energy 0.22 ± eV
Point Group Symmetry C1
Synonyms
  • (2-(2-dimethylamino-1-hydroxy-1-(2-methoxy-5-(1,1-dimethylethyl)phenyl)propyl)phenoxy)acetamide
  • 2-[2-[(1r,2r)-1-(5-tert-butyl-2-methoxy-phenyl)-2-dimethylamino-1-hydroxy-propyl]phenoxy]acetamide
  • 2-[2-[(1r,2r)-1-(5-tert-butyl-2-methoxy-phenyl)-2-dimethylamino-1-hydroxy-propyl]phenoxy]ethanamide
  • 2-[2-[(1r,2r)-1-(5-tert-butyl-2-methoxyphenyl)-2-dimethylamino-1-hydroxypropyl]phenoxy]acetamide
  • acetamide, 2-(2-(2-(dimethylamino)-1-(5-(1,1-dimethylethyl)-2-methoxyphenyl)-1-hydroxypropyl)phenoxy)-, (r*,r*)-(+-)-
  • ici 181037
  • ici-181,037
  • zeneca zm 181037
  • zm 181037
CAS Number(s)
  • 138779-29-0
InChIKey DLGGQRFVOGBFAX-VOIUYBSRSA-N
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DOI
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