Isobutyramide
PubChem CID: 68424
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| Compound Synonyms | Isobutyramide, 563-83-7, 2-Methylpropanamide, 2-Methylpropionamide, Propanamide, 2-methyl-, Isobutylamide, Isobutyrimidic acid, Isopropylformamide, NSC 8423, EINECS 209-265-9, UNII-82UOE7B38Z, MFCD00008019, C-isopropylformamide, BRN 1737615, 82UOE7B38Z, NSC-8423, DTXSID1060340, 4-02-00-00852 (Beilstein Handbook Reference), dimethylacetoamide, 2methylpropanamide, 2Methylpropionamide, 2-methyl-propanamide, 2-methylpropanimidate, isobutyric acid amide, Propanamide, 2methyl, Isobutyramide, 99%, propane, 2-carbamoyl-, 1-carbamoyl-1-methylethyl, CHEMBL352219, DTXCID8042054, NSC8423, CHEBI:193555, DTXSID101304359, 2-Amino-1,1-dimethyl-2-oxoethyl, BDBM50224866, AKOS001084432, CS-W019979, NCI60_041854, SY015332, DB-052904, DB-072139, I0102, NS00033514, EN300-17833, BRD-K54057105-001-01-2, Q10859786, Z57046209, 209-265-9, IBO |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 43.1 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Deep Smiles | CCC=O)N))C |
| Heavy Atom Count | 6.0 |
| Classyfire Class | Carboxylic acids and derivatives |
| Classyfire Subclass | Carboxylic acid derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 58.6 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methylpropanamide |
| Veber Rule | True |
| Classyfire Superclass | Organic acids and derivatives |
| Xlogp | 0.2 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C4H9NO |
| Inchi Key | WFKAJVHLWXSISD-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | isobutyl amide, isobutylamide, isobutyramide |
| Esol Class | Very soluble |
| Functional Groups | CC(N)=O |
| Compound Name | Isobutyramide |
| Exact Mass | 87.0684 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 87.0684 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 87.12 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C4H9NO/c1-3(2)4(5)6/h3H,1-2H3,(H2,5,6) |
| Smiles | CC(C)C(=O)N |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Anacyclus Pyrethrum (Plant) Rel Props:Reference:ISBN:9780387706375 - 2. Outgoing r'ship
FOUND_INto/from Artemisia Dracunculus (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/22738981 - 3. Outgoing r'ship
FOUND_INto/from Piper Longum (Plant) Rel Props:Reference:ISBN:9780387706375 - 4. Outgoing r'ship
FOUND_INto/from Piper Nigrum (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/11902925