2-(furan-2-yl)-N-(1H-imidazol-2-ylmethyl)-N-methyl-2-oxoacetamide

C11H11N3O3 — CID 56706763

IUPAC2-(furan-2-yl)-N-(1H-imidazol-2-ylmethyl)-N-methyl-2-oxoacetamide
SMILESCN(Cc1ncc[nH]1)C(=O)C(=O)c1ccco1
InChIInChI=1S/C11H11N3O3/c1-14(7-9-12-4-5-13-9)11(16)10(15)8-3-2-6-17-8/h2-6H,7H2,1H3,(H,12,13)
InChIKeyUGEYYIDLSIYAHX-UHFFFAOYSA-N
MW233.23 g/mol
LogP0.84
Rot. Bonds4

About 2-(furan-2-yl)-N-(1H-imidazol-2-ylmethyl)-N-methyl-2-oxoacetamide

2-(furan-2-yl)-N-(1H-imidazol-2-ylmethyl)-N-methyl-2-oxoacetamide (PubChem CID 56706763) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is 2-(furan-2-yl)-N-(1H-imidazol-2-ylmethyl)-N-methyl-2-oxoacetamide.

Molecular Properties

Compound Name2-(furan-2-yl)-N-(1H-imidazol-2-ylmethyl)-N-methyl-2-oxoacetamide
PubChem CID56706763
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name2-(furan-2-yl)-N-(1H-imidazol-2-ylmethyl)-N-methyl-2-oxoacetamide
SMILESCN(Cc1ncc[nH]1)C(=O)C(=O)c1ccco1
InChIInChI=1S/C11H11N3O3/c1-14(7-9-12-4-5-13-9)11(16)10(15)8-3-2-6-17-8/h2-6H,7H2,1H3,(H,12,13)
InChIKeyUGEYYIDLSIYAHX-UHFFFAOYSA-N
XLogP0.84
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-N-(1H-imidazol-2-ylmethyl)-N-methyl-2-oxoacetamide?
The IUPAC name of 2-(furan-2-yl)-N-(1H-imidazol-2-ylmethyl)-N-methyl-2-oxoacetamide (CID 56706763) is 2-(furan-2-yl)-N-(1H-imidazol-2-ylmethyl)-N-methyl-2-oxoacetamide.
What is the SMILES notation for 2-(furan-2-yl)-N-(1H-imidazol-2-ylmethyl)-N-methyl-2-oxoacetamide?
The canonical SMILES for 2-(furan-2-yl)-N-(1H-imidazol-2-ylmethyl)-N-methyl-2-oxoacetamide is CN(Cc1ncc[nH]1)C(=O)C(=O)c1ccco1.
What is the InChIKey of 2-(furan-2-yl)-N-(1H-imidazol-2-ylmethyl)-N-methyl-2-oxoacetamide?
The InChIKey is UGEYYIDLSIYAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c1-14(7-9-12-4-5-13-9)11(16)10(15)8-3-2-6-17-8/h2-6H,7H2,1H3,(H,12,13).
What are the key properties of 2-(furan-2-yl)-N-(1H-imidazol-2-ylmethyl)-N-methyl-2-oxoacetamide?
2-(furan-2-yl)-N-(1H-imidazol-2-ylmethyl)-N-methyl-2-oxoacetamide has a molecular weight of 233.23 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-N-(1H-imidazol-2-ylmethyl)-N-methyl-2-oxoacetamide is sourced from PubChem (CID 56706763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).