2-[(3-oxo-1-benzofuran-6-yl)oxy]-N-propan-2-ylacetamide

C13H15NO4 — CID 60772248

IUPAC2-[(3-oxo-1-benzofuran-6-yl)oxy]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)COc1ccc2c(c1)OCC2=O
InChIInChI=1S/C13H15NO4/c1-8(2)14-13(16)7-17-9-3-4-10-11(15)6-18-12(10)5-9/h3-5,8H,6-7H2,1-2H3,(H,14,16)
InChIKeyVDNPKACXDPZXOK-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.17
Rot. Bonds4

About 2-[(3-oxo-1-benzofuran-6-yl)oxy]-N-propan-2-ylacetamide

2-[(3-oxo-1-benzofuran-6-yl)oxy]-N-propan-2-ylacetamide (PubChem CID 60772248) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is 2-[(3-oxo-1-benzofuran-6-yl)oxy]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(3-oxo-1-benzofuran-6-yl)oxy]-N-propan-2-ylacetamide
PubChem CID60772248
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Name2-[(3-oxo-1-benzofuran-6-yl)oxy]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)COc1ccc2c(c1)OCC2=O
InChIInChI=1S/C13H15NO4/c1-8(2)14-13(16)7-17-9-3-4-10-11(15)6-18-12(10)5-9/h3-5,8H,6-7H2,1-2H3,(H,14,16)
InChIKeyVDNPKACXDPZXOK-UHFFFAOYSA-N
XLogP1.17
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-methyl-2-oxobutoxy)-1-benzofuran-3-one
CID 79395503
2-[(3-oxo-1-benzofuran-6-yl)oxy]acetamide
CID 60772542
6-(2-oxopentoxy)-1-benzofuran-3-one
CID 62042964
N-ethyl-3-[(3-oxo-1-benzofuran-6-yl)oxy]propanamide
CID 63094835
(3S)-3-[(3-oxo-1-benzofuran-6-yl)oxy]butanoic acid
CID 103547942
6-(2-hydroxy-3-propan-2-yloxypropoxy)-1-benzofuran-3-one
CID 63989056
6-(3-oxobutan-2-yloxy)-1-benzofuran-3-one
CID 62033452
6-(1-aminopropan-2-yloxy)-1-benzofuran-3-one
CID 82507298
3-[(3-oxo-1-benzofuran-6-yl)oxy]propanoic acid
CID 16776711
6-(5-oxohexoxy)-1-benzofuran-3-one
CID 62033271
N-(2-methylpropyl)-2-[(3-oxo-1-benzofuran-6-yl)oxy]propanamide
CID 63095016
N,N-dimethyl-2-[(3-oxo-1-benzofuran-6-yl)oxy]propanamide
CID 63094838

Frequently Asked Questions

What is the IUPAC name of 2-[(3-oxo-1-benzofuran-6-yl)oxy]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(3-oxo-1-benzofuran-6-yl)oxy]-N-propan-2-ylacetamide (CID 60772248) is 2-[(3-oxo-1-benzofuran-6-yl)oxy]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(3-oxo-1-benzofuran-6-yl)oxy]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(3-oxo-1-benzofuran-6-yl)oxy]-N-propan-2-ylacetamide is CC(C)NC(=O)COc1ccc2c(c1)OCC2=O.
What is the InChIKey of 2-[(3-oxo-1-benzofuran-6-yl)oxy]-N-propan-2-ylacetamide?
The InChIKey is VDNPKACXDPZXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c1-8(2)14-13(16)7-17-9-3-4-10-11(15)6-18-12(10)5-9/h3-5,8H,6-7H2,1-2H3,(H,14,16).
What are the key properties of 2-[(3-oxo-1-benzofuran-6-yl)oxy]-N-propan-2-ylacetamide?
2-[(3-oxo-1-benzofuran-6-yl)oxy]-N-propan-2-ylacetamide has a molecular weight of 249.27 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-oxo-1-benzofuran-6-yl)oxy]-N-propan-2-ylacetamide is sourced from PubChem (CID 60772248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).