Isovaleramide
PubChem CID: 10930
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| Compound Synonyms | ISOVALERAMIDE, 3-Methylbutanamide, 541-46-8, Butanamide, 3-methyl-, 3-Methylbutyramide, Isopentanamide, Isovaleric amide, Isovaleric acid amide, beta-Methylbutyramide, Isovaleramide [USAN], NFS1776, NPS 1776, .beta.-Methylbutyramide, NPS-1776, EINECS 208-781-1, UNII-9CP4KB634M, 3-methylbutaneamide, NSC 402555, NSC-402555, BRN 1740789, 9CP4KB634M, Isovaleramide (USAN), NFS-1776, ISOVALERAMIDE [MI], DTXSID3060249, 3-methyl-butanamide, MFCD00014807, SCHEMBL9641, CHEMBL171066, DTXCID7041596, CHEBI:229314, HMS3264B03, HMS3652O16, HMS3885H05, Pharmakon1600-01506177, BCP05941, HY-B1229, BDBM50224817, NSC402555, NSC760408, s4116, AKOS008937702, CCG-213627, CS-4876, NSC-760408, AS-14001, DB-357220, NS00032973, SW220069-1, C75541, D04637, AB01563345_01, AB01563345_02, EN300-1232898, Q6086595, BRD-K90069354-001-01-1, BRD-K90069354-001-02-9, BRD-K90069354-001-03-7, BRD-K90069354-001-04-5, Z33546511, F1995-0350, 208-781-1 |
|---|---|
| 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 | CCCC=O)N)))C |
| Heavy Atom Count | 7.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty amides |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 68.5 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-methylbutanamide |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 0.4 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C5H11NO |
| Inchi Key | SANOUVWGPVYVAV-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | isovaleramide |
| Esol Class | Very soluble |
| Functional Groups | CC(N)=O |
| Compound Name | Isovaleramide |
| Exact Mass | 101.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 101.084 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 101.15 |
| 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/C5H11NO/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H2,6,7) |
| Smiles | CC(C)CC(=O)N |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Peptide alkaloids |
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