2-(1H-imidazol-5-yl)-N-methoxy-2-methylpropanamide

C8H13N3O2 — CID 130626517

IUPAC2-(1H-imidazol-5-yl)-N-methoxy-2-methylpropanamide
SMILESCONC(=O)C(C)(C)c1cnc[nH]1
InChIInChI=1S/C8H13N3O2/c1-8(2,7(12)11-13-3)6-4-9-5-10-6/h4-5H,1-3H3,(H,9,10)(H,11,12)
InChIKeyQKSCEFYRCSKAFA-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.36
Rot. Bonds3

About 2-(1H-imidazol-5-yl)-N-methoxy-2-methylpropanamide

2-(1H-imidazol-5-yl)-N-methoxy-2-methylpropanamide (PubChem CID 130626517) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-(1H-imidazol-5-yl)-N-methoxy-2-methylpropanamide.

Molecular Properties

Compound Name2-(1H-imidazol-5-yl)-N-methoxy-2-methylpropanamide
PubChem CID130626517
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name2-(1H-imidazol-5-yl)-N-methoxy-2-methylpropanamide
SMILESCONC(=O)C(C)(C)c1cnc[nH]1
InChIInChI=1S/C8H13N3O2/c1-8(2,7(12)11-13-3)6-4-9-5-10-6/h4-5H,1-3H3,(H,9,10)(H,11,12)
InChIKeyQKSCEFYRCSKAFA-UHFFFAOYSA-N
XLogP0.36
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(1H-imidazol-5-yl)-2-methylpropanoate;hydrochloride
CID 155858690
5-(1,1-difluoroethyl)-1H-imidazole
CID 147887964
6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]-N-methoxynaphthalene-2-carboxamide
CID 18769145
2,2-diamino-2-(1H-imidazol-5-yl)acetic acid
CID 145101043
N-methoxy-2-methyl-2-phenylpropanamide
CID 60717949
methyl 2-amino-2-(1H-imidazol-5-yl)acetate
CID 20624250
potassium;5-tert-butyl-1H-imidazole;carbanide;methane
CID 162271210
methyl 2-(1H-imidazol-5-ylamino)acetate
CID 45120743
2-(1H-imidazol-5-yl)-3-methylbutan-2-ol
CID 101065670
methyl 1H-imidazole-5-carboxylate;hydrochloride
CID 45116490
N-tert-butyl-4-[1-hydroxy-1-(1H-imidazol-5-yl)propyl]benzamide
CID 19422021
amino-chloro-(1H-imidazol-5-yl)methanol
CID 174473785

Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-5-yl)-N-methoxy-2-methylpropanamide?
The IUPAC name of 2-(1H-imidazol-5-yl)-N-methoxy-2-methylpropanamide (CID 130626517) is 2-(1H-imidazol-5-yl)-N-methoxy-2-methylpropanamide.
What is the SMILES notation for 2-(1H-imidazol-5-yl)-N-methoxy-2-methylpropanamide?
The canonical SMILES for 2-(1H-imidazol-5-yl)-N-methoxy-2-methylpropanamide is CONC(=O)C(C)(C)c1cnc[nH]1.
What is the InChIKey of 2-(1H-imidazol-5-yl)-N-methoxy-2-methylpropanamide?
The InChIKey is QKSCEFYRCSKAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-8(2,7(12)11-13-3)6-4-9-5-10-6/h4-5H,1-3H3,(H,9,10)(H,11,12).
What are the key properties of 2-(1H-imidazol-5-yl)-N-methoxy-2-methylpropanamide?
2-(1H-imidazol-5-yl)-N-methoxy-2-methylpropanamide has a molecular weight of 183.21 g/mol, XLogP of 0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-5-yl)-N-methoxy-2-methylpropanamide is sourced from PubChem (CID 130626517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).