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    Chemistry

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    Also known as: 563-83-7, 2-methylpropionamide, Propanamide, 2-methyl-, Isobutyrimidic acid, Isobutylamide, Mfcd00008019
    Molecular Formula
    C4H9NO
    Molecular Weight
    87.12  g/mol
    InChI Key
    WFKAJVHLWXSISD-UHFFFAOYSA-N
    FDA UNII
    82UOE7B38Z
    Isobutyramide
    isobutyramide is a natural product found in Otanthus maritimus and Streptomyces with data available.
    1 2D Structure

    Isobutyramide

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-methylpropanamide
    2.1.2 InChI
    InChI=1S/C4H9NO/c1-3(2)4(5)6/h3H,1-2H3,(H2,5,6)
    2.1.3 InChI Key
    WFKAJVHLWXSISD-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C)C(=O)N
    2.2 Other Identifiers
    2.2.1 UNII
    82UOE7B38Z
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 563-83-7

    2. 2-methylpropionamide

    3. Propanamide, 2-methyl-

    4. Isobutyrimidic Acid

    5. Isobutylamide

    6. Mfcd00008019

    7. 82uoe7b38z

    8. Nsc-8423

    9. Dimethylacetoamide

    10. Nsc 8423

    11. Einecs 209-265-9

    12. Brn 1737615

    13. Unii-82uoe7b38z

    14. C-isopropylformamide

    15. 2-methyl-propanamide

    16. Isobutyric Acid Amide

    17. Isobutyramide, 99%

    18. Crystalponceau6r

    19. 1-carbamoyl-1-methylethyl

    20. 4-02-00-00852 (beilstein Handbook Reference)

    21. 68424-61-3

    22. Chembl352219

    23. Glycerides, C16-18 And C18-unsatd. Mono- And Di-

    24. Dtxsid1060340

    25. Nsc8423

    26. Chebi:193555

    27. Zinc1484944

    28. Bdbm50224866

    29. Akos001084432

    30. Cs-w019979

    31. Nci60_041854

    32. Sy015332

    33. Db-052904

    34. Db-072139

    35. Ft-0627380

    36. Ft-0672107

    37. I0102

    38. En300-17833

    39. W-105521

    40. Q10859786

    41. Ibo

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 87.12 g/mol
    Molecular Formula C4H9NO
    XLogP30.2
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count1
    Exact Mass87.068413911 g/mol
    Monoisotopic Mass87.068413911 g/mol
    Topological Polar Surface Area43.1 Ų
    Heavy Atom Count6
    Formal Charge0
    Complexity58.6
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Antineoplastic Agents

    Substances that inhibit or prevent the proliferation of NEOPLASMS. (See all compounds classified as Antineoplastic Agents.)

    API Reference Price

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    08-Feb-2021
    19-Mar-2024
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