2-[[(2Z)-2-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetamide

C20H17NO5 — CID 6220488

IUPAC2-[[(2Z)-2-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetamide
SMILESCOc1ccccc1/C=C/C=C1\Oc2cc(OCC(N)=O)ccc2C1=O
InChIInChI=1S/C20H17NO5/c1-24-16-7-3-2-5-13(16)6-4-8-17-20(23)15-10-9-14(11-18(15)26-17)25-12-19(21)22/h2-11H,12H2,1H3,(H2,21,22)/b6-4+,17-8-
InChIKeySEHUEUTZEAOOTM-QVOHYOOSSA-N
MW351.36 g/mol
LogP2.73
Rot. Bonds6

About 2-[[(2Z)-2-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetamide

2-[[(2Z)-2-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetamide (PubChem CID 6220488) has the molecular formula C20H17NO5 and a molecular weight of 351.36 g/mol. Its IUPAC name is 2-[[(2Z)-2-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetamide.

Molecular Properties

Compound Name2-[[(2Z)-2-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetamide
PubChem CID6220488
Molecular FormulaC20H17NO5
Molecular Weight351.36 g/mol
Exact Mass351.11
IUPAC Name2-[[(2Z)-2-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetamide
SMILESCOc1ccccc1/C=C/C=C1\Oc2cc(OCC(N)=O)ccc2C1=O
InChIInChI=1S/C20H17NO5/c1-24-16-7-3-2-5-13(16)6-4-8-17-20(23)15-10-9-14(11-18(15)26-17)25-12-19(21)22/h2-11H,12H2,1H3,(H2,21,22)/b6-4+,17-8-
InChIKeySEHUEUTZEAOOTM-QVOHYOOSSA-N
XLogP2.73
TPSA87.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2Z)-2-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetamide?
The IUPAC name of 2-[[(2Z)-2-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetamide (CID 6220488) is 2-[[(2Z)-2-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetamide.
What is the SMILES notation for 2-[[(2Z)-2-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetamide?
The canonical SMILES for 2-[[(2Z)-2-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetamide is COc1ccccc1/C=C/C=C1\Oc2cc(OCC(N)=O)ccc2C1=O.
What is the InChIKey of 2-[[(2Z)-2-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetamide?
The InChIKey is SEHUEUTZEAOOTM-QVOHYOOSSA-N. The full InChI is InChI=1S/C20H17NO5/c1-24-16-7-3-2-5-13(16)6-4-8-17-20(23)15-10-9-14(11-18(15)26-17)25-12-19(21)22/h2-11H,12H2,1H3,(H2,21,22)/b6-4+,17-8-.
What are the key properties of 2-[[(2Z)-2-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetamide?
2-[[(2Z)-2-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetamide has a molecular weight of 351.36 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2Z)-2-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetamide is sourced from PubChem (CID 6220488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).