2-[[3-oxo-2-[(2,3,5-trimethoxyphenyl)methylidene]-1-benzofuran-6-yl]oxy]acetamide

C20H19NO7 — CID 162857760

IUPAC2-[[3-oxo-2-[(2,3,5-trimethoxyphenyl)methylidene]-1-benzofuran-6-yl]oxy]acetamide
SMILESCOc1cc(C=C2Oc3cc(OCC(N)=O)ccc3C2=O)c(OC)c(OC)c1
InChIInChI=1S/C20H19NO7/c1-24-13-6-11(20(26-3)17(9-13)25-2)7-16-19(23)14-5-4-12(8-15(14)28-16)27-10-18(21)22/h4-9H,10H2,1-3H3,(H2,21,22)
InChIKeyGQLUYGGIQZOGRK-UHFFFAOYSA-N
MW385.37 g/mol
LogP2.19
Rot. Bonds7

About 2-[[3-oxo-2-[(2,3,5-trimethoxyphenyl)methylidene]-1-benzofuran-6-yl]oxy]acetamide

2-[[3-oxo-2-[(2,3,5-trimethoxyphenyl)methylidene]-1-benzofuran-6-yl]oxy]acetamide (PubChem CID 162857760) has the molecular formula C20H19NO7 and a molecular weight of 385.37 g/mol. Its IUPAC name is 2-[[3-oxo-2-[(2,3,5-trimethoxyphenyl)methylidene]-1-benzofuran-6-yl]oxy]acetamide.

Molecular Properties

Compound Name2-[[3-oxo-2-[(2,3,5-trimethoxyphenyl)methylidene]-1-benzofuran-6-yl]oxy]acetamide
PubChem CID162857760
Molecular FormulaC20H19NO7
Molecular Weight385.37 g/mol
Exact Mass385.12
IUPAC Name2-[[3-oxo-2-[(2,3,5-trimethoxyphenyl)methylidene]-1-benzofuran-6-yl]oxy]acetamide
SMILESCOc1cc(C=C2Oc3cc(OCC(N)=O)ccc3C2=O)c(OC)c(OC)c1
InChIInChI=1S/C20H19NO7/c1-24-13-6-11(20(26-3)17(9-13)25-2)7-16-19(23)14-5-4-12(8-15(14)28-16)27-10-18(21)22/h4-9H,10H2,1-3H3,(H2,21,22)
InChIKeyGQLUYGGIQZOGRK-UHFFFAOYSA-N
XLogP2.19
TPSA106.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.37
LogP ≤ 52.19
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-[[(2E)-3-oxo-2-[(2,3,5-trimethoxyphenyl)methylidene]-1-benzofuran-6-yl]oxy]acetic acid
CID 110207484
2-[[(2Z)-2-[(2,3-dimethoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetohydrazide
CID 6532887
(2S)-4-amino-2-[[2-[[2-[(2,4-dimethoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetyl]amino]-4-oxobutanoic acid
CID 71965238
6-(2-oxopropoxy)-2-[(3,4,5-trimethoxyphenyl)methylidene]-1-benzofuran-3-one
CID 4835068
2-[[(2Z)-2-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetamide
CID 6220488
(2R,3S)-2-[[2-[[2-[(2,5-dimethoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetyl]amino]-3-hydroxybutanoic acid
CID 163081665
N-(2,4-dimethoxyphenyl)-2-[[2-[(2,4-dimethoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetamide
CID 4908567
2-[[2-[(2,3-dimethoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]-N-pyridin-2-ylacetamide
CID 4906118
(2R,3S)-3-hydroxy-2-[[2-[[3-oxo-2-[(2,3,4-trimethoxyphenyl)methylidene]-1-benzofuran-6-yl]oxy]acetyl]amino]butanoic acid
CID 162960961
2-[[2-[(3,4-dimethoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetic acid
CID 4837017
6-(2-methylprop-2-enoxy)-2-[(2,4,5-trimethoxyphenyl)methylidene]-1-benzofuran-3-one
CID 3830880
(2S)-2-[[2-[[2-[(2,5-dimethoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetyl]amino]-3-methylbutanoic acid
CID 71966758

Frequently Asked Questions

What is the IUPAC name of 2-[[3-oxo-2-[(2,3,5-trimethoxyphenyl)methylidene]-1-benzofuran-6-yl]oxy]acetamide?
The IUPAC name of 2-[[3-oxo-2-[(2,3,5-trimethoxyphenyl)methylidene]-1-benzofuran-6-yl]oxy]acetamide (CID 162857760) is 2-[[3-oxo-2-[(2,3,5-trimethoxyphenyl)methylidene]-1-benzofuran-6-yl]oxy]acetamide.
What is the SMILES notation for 2-[[3-oxo-2-[(2,3,5-trimethoxyphenyl)methylidene]-1-benzofuran-6-yl]oxy]acetamide?
The canonical SMILES for 2-[[3-oxo-2-[(2,3,5-trimethoxyphenyl)methylidene]-1-benzofuran-6-yl]oxy]acetamide is COc1cc(C=C2Oc3cc(OCC(N)=O)ccc3C2=O)c(OC)c(OC)c1.
What is the InChIKey of 2-[[3-oxo-2-[(2,3,5-trimethoxyphenyl)methylidene]-1-benzofuran-6-yl]oxy]acetamide?
The InChIKey is GQLUYGGIQZOGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO7/c1-24-13-6-11(20(26-3)17(9-13)25-2)7-16-19(23)14-5-4-12(8-15(14)28-16)27-10-18(21)22/h4-9H,10H2,1-3H3,(H2,21,22).
What are the key properties of 2-[[3-oxo-2-[(2,3,5-trimethoxyphenyl)methylidene]-1-benzofuran-6-yl]oxy]acetamide?
2-[[3-oxo-2-[(2,3,5-trimethoxyphenyl)methylidene]-1-benzofuran-6-yl]oxy]acetamide has a molecular weight of 385.37 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-oxo-2-[(2,3,5-trimethoxyphenyl)methylidene]-1-benzofuran-6-yl]oxy]acetamide is sourced from PubChem (CID 162857760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).