4,5-dimethyl-2-(2-oxopropanoylamino)furan-3-carboxamide

C10H12N2O4 — CID 118518014

IUPAC4,5-dimethyl-2-(2-oxopropanoylamino)furan-3-carboxamide
SMILESCC(=O)C(=O)Nc1oc(C)c(C)c1C(N)=O
InChIInChI=1S/C10H12N2O4/c1-4-6(3)16-10(7(4)8(11)14)12-9(15)5(2)13/h1-3H3,(H2,11,14)(H,12,15)
InChIKeyVUAAPXGHYKGEQK-UHFFFAOYSA-N
MW224.22 g/mol
LogP0.52
Rot. Bonds3

About 4,5-dimethyl-2-(2-oxopropanoylamino)furan-3-carboxamide

4,5-dimethyl-2-(2-oxopropanoylamino)furan-3-carboxamide (PubChem CID 118518014) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is 4,5-dimethyl-2-(2-oxopropanoylamino)furan-3-carboxamide.

Molecular Properties

Compound Name4,5-dimethyl-2-(2-oxopropanoylamino)furan-3-carboxamide
PubChem CID118518014
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name4,5-dimethyl-2-(2-oxopropanoylamino)furan-3-carboxamide
SMILESCC(=O)C(=O)Nc1oc(C)c(C)c1C(N)=O
InChIInChI=1S/C10H12N2O4/c1-4-6(3)16-10(7(4)8(11)14)12-9(15)5(2)13/h1-3H3,(H2,11,14)(H,12,15)
InChIKeyVUAAPXGHYKGEQK-UHFFFAOYSA-N
XLogP0.52
TPSA102.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-acetyl-2-[(4-chlorobenzoyl)amino]-5-methylfuran-3-carboxamide
CID 108763234
4-acetyl-5-methyl-2-[[4-(trifluoromethyl)benzoyl]amino]furan-3-carboxamide
CID 108740756
4-acetyl-2-[[2-(2-methoxyethoxy)acetyl]amino]-5-methylfuran-3-carboxamide
CID 108740663
4-acetyl-2-[(2,6-dimethoxybenzoyl)amino]-5-methylfuran-3-carboxamide
CID 108763231
4-acetyl-2-(adamantane-1-carbonylamino)-5-methylfuran-3-carboxamide
CID 108740670
diethyl 2-acetamido-5-methylfuran-3,4-dicarboxylate
CID 108739453
4-acetyl-2-[[2-(2,3-dimethylphenoxy)acetyl]amino]-5-methylfuran-3-carboxamide
CID 108763332
4-acetyl-5-methyl-2-(naphthalene-1-carbonylamino)furan-3-carboxamide
CID 108763362
4-acetyl-5-methyl-2-[(2-naphthalen-1-ylacetyl)amino]furan-3-carboxamide
CID 108740762
4-acetyl-2-[(5-chloro-2-methoxybenzoyl)amino]-5-methylfuran-3-carboxamide
CID 108763285
ethyl 5-[(1-acetylpiperidine-4-carbonyl)amino]-4-carbamoyl-2-methylfuran-3-carboxylate
CID 108733749
4-acetyl-2-[[3-[(4,6-dimethylpyrimidin-2-yl)amino]benzoyl]amino]-5-methylfuran-3-carboxamide
CID 108740715

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-(2-oxopropanoylamino)furan-3-carboxamide?
The IUPAC name of 4,5-dimethyl-2-(2-oxopropanoylamino)furan-3-carboxamide (CID 118518014) is 4,5-dimethyl-2-(2-oxopropanoylamino)furan-3-carboxamide.
What is the SMILES notation for 4,5-dimethyl-2-(2-oxopropanoylamino)furan-3-carboxamide?
The canonical SMILES for 4,5-dimethyl-2-(2-oxopropanoylamino)furan-3-carboxamide is CC(=O)C(=O)Nc1oc(C)c(C)c1C(N)=O.
What is the InChIKey of 4,5-dimethyl-2-(2-oxopropanoylamino)furan-3-carboxamide?
The InChIKey is VUAAPXGHYKGEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-4-6(3)16-10(7(4)8(11)14)12-9(15)5(2)13/h1-3H3,(H2,11,14)(H,12,15).
What are the key properties of 4,5-dimethyl-2-(2-oxopropanoylamino)furan-3-carboxamide?
4,5-dimethyl-2-(2-oxopropanoylamino)furan-3-carboxamide has a molecular weight of 224.22 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-(2-oxopropanoylamino)furan-3-carboxamide is sourced from PubChem (CID 118518014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).