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    CAS 563-83-7

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

    2D Structure

    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-methylpropanamide

    3. 2-methylpropionamide

    4. Propanamide, 2-methyl-

    5. Isobutyrimidic Acid

    6. Isobutylamide

    7. Mfcd00008019

    8. 82uoe7b38z

    9. Nsc-8423

    10. Dimethylacetoamide

    11. Nsc 8423

    12. Einecs 209-265-9

    13. Brn 1737615

    14. Unii-82uoe7b38z

    15. C-isopropylformamide

    16. 2-methyl-propanamide

    17. Isobutyric Acid Amide

    18. Isobutyramide, 99%

    19. 68424-61-3

    20. 1-carbamoyl-1-methylethyl

    21. 4-02-00-00852 (beilstein Handbook Reference)

    22. Chembl352219

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

    24. Dtxsid1060340

    25. Nsc8423

    26. Chebi:193555

    27. Bdbm50224866

    28. Akos001084432

    29. Cs-w019979

    30. Nci60_041854

    31. Sy015332

    32. Ft-0627380

    33. Ft-0672107

    34. I0102

    35. En300-17833

    36. W-105521

    37. Q10859786

    38. Z57046209

    39. Inchi=1/c4h9no/c1-3(2)4(5)6/h3h,1-2h3,(h2,5,6

    40. Ibo

    2.3.2 Other Synonyms

    1. 2-methylpropanamide

    2. Isopropylformamide

    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 Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area43.1
    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.)

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