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  • [Synonyms]
    BRN 0489195
    LS-159694
    5-22-08-00018 (Beilstein Handbook Reference)
    1-(1-Cyclohexyl-3-pyrrolidinyl)-3-(p-methoxyphenyl)urea
    Urea, 1-(1-cyclohexyl-3-pyrrolidinyl)-3-(p-methoxyphenyl)-
    19985-19-4

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight317.42588 [g/mol]
    Molecular FormulaC18H27N3O2
    XLogP2.7
    H-Bond Donor2
    H-Bond Acceptor3
    Rotatable Bond Count4
    Tautomer Count3
    Exact Mass317.210327
    MonoIsotopic Mass317.210327
    Topological Polar Surface Area53.6
    Heavy Atom Count23
    Formal Charge0
    Complexity377
    Isotope Atom Count0
    Defined Atom StereoCenter Count0
    Undefined Atom StereoCenter Count1
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count0
    Covalently-Bonded Unit Count1

    [ Descriptors Computed from Structure]
    IUPAC Name: 1-(1-cyclohexylpyrrolidin-3-yl)-3-(4-methoxyphenyl)urea
    Canonical SMILES: COC1=CC=C(C=C1)NC(=O)NC2CCN(C2)C3CCCCC3
    InChI: InChI=1/C18H27N3O2/c1-23-17-9-7-14(8-10-17)19-18(22)20-15-11-12-21(13-
    15)16-5-3-2-4-6-16/h7-10,15-16H,2-6,11-13H2,1H3,(H2,19,20,22)/f/h19-20H



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