2-[[2-[(2,3-dimethoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]-N-pyridin-2-ylacetamide

C24H20N2O6 — CID 4906118

IUPAC2-[[2-[(2,3-dimethoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]-N-pyridin-2-ylacetamide
SMILESCOc1cccc(C=C2Oc3cc(OCC(=O)Nc4ccccn4)ccc3C2=O)c1OC
InChIInChI=1S/C24H20N2O6/c1-29-18-7-5-6-15(24(18)30-2)12-20-23(28)17-10-9-16(13-19(17)32-20)31-14-22(27)26-21-8-3-4-11-25-21/h3-13H,14H2,1-2H3,(H,25,26,27)
InChIKeyZYZYBDAVCZNURO-UHFFFAOYSA-N
MW432.43 g/mol
LogP3.73
Rot. Bonds7

About 2-[[2-[(2,3-dimethoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]-N-pyridin-2-ylacetamide

2-[[2-[(2,3-dimethoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]-N-pyridin-2-ylacetamide (PubChem CID 4906118) has the molecular formula C24H20N2O6 and a molecular weight of 432.43 g/mol. Its IUPAC name is 2-[[2-[(2,3-dimethoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]-N-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2-[[2-[(2,3-dimethoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]-N-pyridin-2-ylacetamide
PubChem CID4906118
Molecular FormulaC24H20N2O6
Molecular Weight432.43 g/mol
Exact Mass432.13
IUPAC Name2-[[2-[(2,3-dimethoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]-N-pyridin-2-ylacetamide
SMILESCOc1cccc(C=C2Oc3cc(OCC(=O)Nc4ccccn4)ccc3C2=O)c1OC
InChIInChI=1S/C24H20N2O6/c1-29-18-7-5-6-15(24(18)30-2)12-20-23(28)17-10-9-16(13-19(17)32-20)31-14-22(27)26-21-8-3-4-11-25-21/h3-13H,14H2,1-2H3,(H,25,26,27)
InChIKeyZYZYBDAVCZNURO-UHFFFAOYSA-N
XLogP3.73
TPSA95.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.43
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[[(2Z)-2-[(2,3-dimethoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetohydrazide
CID 6532887
2-[[2-[[2-[(2,3-dimethoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetyl]amino]-4-methylsulfanylbutanoic acid
CID 4966045
2-[[2-[(2,3-dimethoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]-N-(oxolan-2-ylmethyl)acetamide
CID 163091491
2-[[2-[[2-[(2-methoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetyl]amino]butanedioic acid
CID 4967074
2-[(2,3-dimethoxyphenyl)methylidene]-6-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]-1-benzofuran-3-one
CID 4870091
methyl (2S)-2-[[2-[(2,3-dimethoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]propanoate
CID 7001664
N-(2,4-dimethoxyphenyl)-2-[[2-[(2,4-dimethoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetamide
CID 4908567
2-[[2-[[3-oxo-2-[(2,3,4-trimethoxyphenyl)methylidene]-1-benzofuran-6-yl]oxy]acetyl]amino]-2-phenylacetic acid
CID 73399781
N-(2-methoxyethyl)-2-[[3-oxo-2-[(2,3,4-trimethoxyphenyl)methylidene]-1-benzofuran-6-yl]oxy]acetamide
CID 163091939
2-[[3-oxo-2-[(2,3,5-trimethoxyphenyl)methylidene]-1-benzofuran-6-yl]oxy]acetamide
CID 162857760
2-[[2-[[2-[[3-oxo-2-[(2,3,4-trimethoxyphenyl)methylidene]-1-benzofuran-6-yl]oxy]acetyl]amino]acetyl]amino]acetic acid
CID 4838950
(2R)-2-[[2-[[3-oxo-2-[(2,3,4-trimethoxyphenyl)methylidene]-1-benzofuran-6-yl]oxy]acetyl]amino]propanoic acid
CID 71963968

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2,3-dimethoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]-N-pyridin-2-ylacetamide?
The IUPAC name of 2-[[2-[(2,3-dimethoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]-N-pyridin-2-ylacetamide (CID 4906118) is 2-[[2-[(2,3-dimethoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]-N-pyridin-2-ylacetamide.
What is the SMILES notation for 2-[[2-[(2,3-dimethoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]-N-pyridin-2-ylacetamide?
The canonical SMILES for 2-[[2-[(2,3-dimethoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]-N-pyridin-2-ylacetamide is COc1cccc(C=C2Oc3cc(OCC(=O)Nc4ccccn4)ccc3C2=O)c1OC.
What is the InChIKey of 2-[[2-[(2,3-dimethoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]-N-pyridin-2-ylacetamide?
The InChIKey is ZYZYBDAVCZNURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O6/c1-29-18-7-5-6-15(24(18)30-2)12-20-23(28)17-10-9-16(13-19(17)32-20)31-14-22(27)26-21-8-3-4-11-25-21/h3-13H,14H2,1-2H3,(H,25,26,27).
What are the key properties of 2-[[2-[(2,3-dimethoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]-N-pyridin-2-ylacetamide?
2-[[2-[(2,3-dimethoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]-N-pyridin-2-ylacetamide has a molecular weight of 432.43 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2,3-dimethoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]-N-pyridin-2-ylacetamide is sourced from PubChem (CID 4906118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).