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    Nordihydrocapsaicin

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 28789-35-7, N-(4-hydroxy-3-methoxybenzyl)-7-methyloctanamide, Nordihydrocapsacin, N-[(4-hydroxy-3-methoxyphenyl)methyl]-7-methyloctanamide, Norhydrocapsaicin, Nordihydro capsaicin
    Molecular Formula
    C17H27NO3
    Molecular Weight
    293.4  g/mol
    InChI Key
    VQEONGKQWIFHMN-UHFFFAOYSA-N
    FDA UNII
    RF657P8DA8
    nordihydrocapsacin is a natural product found in Capsicum pubescens and Capsicum annuum with data available.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-[(4-hydroxy-3-methoxyphenyl)methyl]-7-methyloctanamide
    2.1.2 InChI
    InChI=1S/C17H27NO3/c1-13(2)7-5-4-6-8-17(20)18-12-14-9-10-15(19)16(11-14)21-3/h9-11,13,19H,4-8,12H2,1-3H3,(H,18,20)
    2.1.3 InChI Key
    VQEONGKQWIFHMN-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C)CCCCCC(=O)NCC1=CC(=C(C=C1)O)OC
    2.2 Other Identifiers
    2.2.1 UNII
    RF657P8DA8
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 28789-35-7

    2. N-(4-hydroxy-3-methoxybenzyl)-7-methyloctanamide

    3. Nordihydrocapsacin

    4. N-[(4-hydroxy-3-methoxyphenyl)methyl]-7-methyloctanamide

    5. Norhydrocapsaicin

    6. Nordihydro Capsaicin

    7. Octanamide, N-[(4-hydroxy-3-methoxyphenyl)methyl]-7-methyl-

    8. 7-methyl Nordihydrocapsaicin

    9. Rf657p8da8

    10. Octanamide, N-((4-hydroxy-3-methoxyphenyl)methyl)-7-methyl-

    11. N-((4-hydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide

    12. N-[(4-hydroxy-3-methoxyphenyl)methyl]-7-methyl-octanamide

    13. Unii-rf657p8da8

    14. Epa Pesticide Chemical Code 070707

    15. Schembl117622

    16. 7-methyl-n-vanillyl-octanamide

    17. Dtxsid3042217

    18. Chebi:174101

    19. Cs-d1183

    20. Hy-n0449

    21. Zinc5757941

    22. Akos026673998

    23. Ac-34346

    24. Octanamide, 7-methyl-n-vanillyl-

    25. Ft-0688321

    26. C20216

    27. A876628

    28. Q2286631

    29. B2703-178278

    30. Nordihydrocapsaicin (constituent Of Capsicum) [dsc]

    31. N-((4-h Ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide

    32. N-[(4-hydroxy-3-methoxyphenyl)methyl]-7-methyloctanamide, 9ci

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 293.4 g/mol
    Molecular Formula C17H27NO3
    XLogP33.9
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count9
    Exact Mass293.19909372 g/mol
    Monoisotopic Mass293.19909372 g/mol
    Topological Polar Surface Area58.6 Ų
    Heavy Atom Count21
    Formal Charge0
    Complexity294
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1