2-hydroxyimino-3-imidazol-1-yl-N,3-dimethylbutanamide

C9H14N4O2 — CID 86738590

IUPAC2-hydroxyimino-3-imidazol-1-yl-N,3-dimethylbutanamide
SMILESCNC(=O)C(=NO)C(C)(C)n1ccnc1
InChIInChI=1S/C9H14N4O2/c1-9(2,13-5-4-11-6-13)7(12-15)8(14)10-3/h4-6,15H,1-3H3,(H,10,14)
InChIKeyMKIVOTDMVGVRHF-UHFFFAOYSA-N
MW210.24 g/mol
LogP0.19
Rot. Bonds3

About 2-hydroxyimino-3-imidazol-1-yl-N,3-dimethylbutanamide

2-hydroxyimino-3-imidazol-1-yl-N,3-dimethylbutanamide (PubChem CID 86738590) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 2-hydroxyimino-3-imidazol-1-yl-N,3-dimethylbutanamide.

Molecular Properties

Compound Name2-hydroxyimino-3-imidazol-1-yl-N,3-dimethylbutanamide
PubChem CID86738590
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name2-hydroxyimino-3-imidazol-1-yl-N,3-dimethylbutanamide
SMILESCNC(=O)C(=NO)C(C)(C)n1ccnc1
InChIInChI=1S/C9H14N4O2/c1-9(2,13-5-4-11-6-13)7(12-15)8(14)10-3/h4-6,15H,1-3H3,(H,10,14)
InChIKeyMKIVOTDMVGVRHF-UHFFFAOYSA-N
XLogP0.19
TPSA79.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-hydroxyimino-3-imidazol-1-yl-N,3-dimethylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2E)-2-hydroxyimino-N,3-dimethyl-3-(1,2,4-triazol-1-yl)pentanamide
CID 88750347
2-imidazol-1-ylpropan-2-ol
CID 57110355
3-imidazol-1-yl-3-methylbutanoic acid
CID 84653037
(NZ)-N-(1-imidazol-1-yl-2,2-dimethylpropylidene)hydroxylamine
CID 13491023
2,2-difluoro-2-imidazol-1-ylacetyl fluoride
CID 71775166
2-imidazol-1-yl-2-methyl-1-(4-phenylphenyl)propan-1-one;hydrochloride
CID 3059773
(NE)-N-(1-imidazol-1-yl-2-methoxy-2-methylpropylidene)hydroxylamine
CID 88687891
1-(tribromomethyl)imidazole
CID 174422009
2-imidazol-1-yl-2-(4-methylphenyl)propanoic acid
CID 114990903
acetic acid;1-tritylimidazole
CID 67535266
1-[di(imidazol-1-yl)-isocyanomethyl]imidazole
CID 134917270
2-imidazol-1-ylpent-4-en-2-ol
CID 67436912

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyimino-3-imidazol-1-yl-N,3-dimethylbutanamide?
The IUPAC name of 2-hydroxyimino-3-imidazol-1-yl-N,3-dimethylbutanamide (CID 86738590) is 2-hydroxyimino-3-imidazol-1-yl-N,3-dimethylbutanamide.
What is the SMILES notation for 2-hydroxyimino-3-imidazol-1-yl-N,3-dimethylbutanamide?
The canonical SMILES for 2-hydroxyimino-3-imidazol-1-yl-N,3-dimethylbutanamide is CNC(=O)C(=NO)C(C)(C)n1ccnc1.
What is the InChIKey of 2-hydroxyimino-3-imidazol-1-yl-N,3-dimethylbutanamide?
The InChIKey is MKIVOTDMVGVRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-9(2,13-5-4-11-6-13)7(12-15)8(14)10-3/h4-6,15H,1-3H3,(H,10,14).
What are the key properties of 2-hydroxyimino-3-imidazol-1-yl-N,3-dimethylbutanamide?
2-hydroxyimino-3-imidazol-1-yl-N,3-dimethylbutanamide has a molecular weight of 210.24 g/mol, XLogP of 0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyimino-3-imidazol-1-yl-N,3-dimethylbutanamide is sourced from PubChem (CID 86738590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).