This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Isobutyramide
- DrugBank Accession Number
- DB17705
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Isobutyramide (DB17705)
- Weight
- Average: 87.122
Monoisotopic: 87.068413914 - Chemical Formula
- C4H9NO
- Synonyms
- 2-methylpropionamide
- External IDs
- NSC-8423
Pharmacology
- Indication
Not Available
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Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API- Pharmacodynamics
Not Available
- Mechanism of action
- Not Available
- Absorption
Not Available
- Volume of distribution
Not Available
- Protein binding
Not Available
- Metabolism
- Not Available
- Route of elimination
Not Available
- Half-life
Not Available
- Clearance
Not Available
- Adverse Effects
Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.- Toxicity
Not Available
- Pathways
- Not Available
- Pharmacogenomic Effects/ADRs
- Not Available
Interactions
- Drug Interactions
- This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.Not Available
- Food Interactions
- Not Available
Categories
- Drug Categories
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 82UOE7B38Z
- CAS number
- 563-83-7
- InChI Key
- WFKAJVHLWXSISD-UHFFFAOYSA-N
- InChI
- InChI=1S/C4H9NO/c1-3(2)4(5)6/h3H,1-2H3,(H2,5,6)
- IUPAC Name
- 2-methylpropanamide
- SMILES
- CC(C)C(N)=O
References
- General References
- Not Available
- External Links
- Human Metabolome Database
- HMDB0253614
- ChemSpider
- 61707
- BindingDB
- 50224866
- 1653517
- ChEBI
- 193555
- ChEMBL
- CHEMBL352219
- ZINC
- ZINC000001484944
- PDBe Ligand
- IBO
- Wikipedia
- Isobutyramide
- PDB Entries
- 2jhg
Clinical Trials
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source logP 0.21 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 1 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 43.09 Å2 Chemaxon Rotatable Bond Count 1 Chemaxon Refractivity 23.67 m3·mol-1 Chemaxon Polarizability 9.47 Å3 Chemaxon Number of Rings 0 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at April 28, 2023 14:00 / Updated at April 30, 2023 10:33