3-(3-Acetyl-4-{(2R)-2-Hydroxy-3-[(2-Methyl-2-Propanyl)Amino]Propoxy}Phenyl)-1,1-Diethylurea

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Properties Simple | Detailed

Formula C20H33N3O4
IUPAC Name 3-[3-acetyl-4-[(2r)-3-(tert-butylamino)-2-hydroxy-propoxy]phenyl]-1,1-diethyl-urea
Molecular Mass 379.494 g·mol−1
Heat of Formation -776.0 ± 16.7 kJ·mol−1
Dipole Moment 8.42 ± 1.08 D
Volume 494.8 Å 3
Surface Area 401.48 Å 2
HOMO Energy -8.45 ± 0.55 eV
LUMO Energy -0.45 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[3-acetyl-4-[(2r)-3-(tert-butylamino)-2-hydroxy-propoxy]phenyl]-1,1-diethyl-urea
  • 3-[3-acetyl-4-[(2r)-3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-1,1-diethylurea
  • 3-[4-[(2r)-3-(tert-butylamino)-2-hydroxy-propoxy]-3-ethanoyl-phenyl]-1,1-diethyl-urea
InChIKey JOATXPAWOHTVSZ-MRXNPFEDSA-N
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