2-[4-(7-methoxy-1-benzofuran-2-yl)-7-methyl-2-oxochromen-6-yl]oxyacetamide

C21H17NO6 — CID 7295581

IUPAC2-[4-(7-methoxy-1-benzofuran-2-yl)-7-methyl-2-oxochromen-6-yl]oxyacetamide
SMILESCOc1cccc2cc(-c3cc(=O)oc4cc(C)c(OCC(N)=O)cc34)oc12
InChIInChI=1S/C21H17NO6/c1-11-6-17-13(8-16(11)26-10-19(22)23)14(9-20(24)27-17)18-7-12-4-3-5-15(25-2)21(12)28-18/h3-9H,10H2,1-2H3,(H2,22,23)
InChIKeyWMXILYALPQMMTG-UHFFFAOYSA-N
MW379.37 g/mol
LogP3.39
Rot. Bonds5

About 2-[4-(7-methoxy-1-benzofuran-2-yl)-7-methyl-2-oxochromen-6-yl]oxyacetamide

2-[4-(7-methoxy-1-benzofuran-2-yl)-7-methyl-2-oxochromen-6-yl]oxyacetamide (PubChem CID 7295581) has the molecular formula C21H17NO6 and a molecular weight of 379.37 g/mol. Its IUPAC name is 2-[4-(7-methoxy-1-benzofuran-2-yl)-7-methyl-2-oxochromen-6-yl]oxyacetamide.

Molecular Properties

Compound Name2-[4-(7-methoxy-1-benzofuran-2-yl)-7-methyl-2-oxochromen-6-yl]oxyacetamide
PubChem CID7295581
Molecular FormulaC21H17NO6
Molecular Weight379.37 g/mol
Exact Mass379.11
IUPAC Name2-[4-(7-methoxy-1-benzofuran-2-yl)-7-methyl-2-oxochromen-6-yl]oxyacetamide
SMILESCOc1cccc2cc(-c3cc(=O)oc4cc(C)c(OCC(N)=O)cc34)oc12
InChIInChI=1S/C21H17NO6/c1-11-6-17-13(8-16(11)26-10-19(22)23)14(9-20(24)27-17)18-7-12-4-3-5-15(25-2)21(12)28-18/h3-9H,10H2,1-2H3,(H2,22,23)
InChIKeyWMXILYALPQMMTG-UHFFFAOYSA-N
XLogP3.39
TPSA104.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(7-methoxy-1-benzofuran-2-yl)-7-methyl-2-oxochromen-6-yl]oxyacetamide?
The IUPAC name of 2-[4-(7-methoxy-1-benzofuran-2-yl)-7-methyl-2-oxochromen-6-yl]oxyacetamide (CID 7295581) is 2-[4-(7-methoxy-1-benzofuran-2-yl)-7-methyl-2-oxochromen-6-yl]oxyacetamide.
What is the SMILES notation for 2-[4-(7-methoxy-1-benzofuran-2-yl)-7-methyl-2-oxochromen-6-yl]oxyacetamide?
The canonical SMILES for 2-[4-(7-methoxy-1-benzofuran-2-yl)-7-methyl-2-oxochromen-6-yl]oxyacetamide is COc1cccc2cc(-c3cc(=O)oc4cc(C)c(OCC(N)=O)cc34)oc12.
What is the InChIKey of 2-[4-(7-methoxy-1-benzofuran-2-yl)-7-methyl-2-oxochromen-6-yl]oxyacetamide?
The InChIKey is WMXILYALPQMMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO6/c1-11-6-17-13(8-16(11)26-10-19(22)23)14(9-20(24)27-17)18-7-12-4-3-5-15(25-2)21(12)28-18/h3-9H,10H2,1-2H3,(H2,22,23).
What are the key properties of 2-[4-(7-methoxy-1-benzofuran-2-yl)-7-methyl-2-oxochromen-6-yl]oxyacetamide?
2-[4-(7-methoxy-1-benzofuran-2-yl)-7-methyl-2-oxochromen-6-yl]oxyacetamide has a molecular weight of 379.37 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(7-methoxy-1-benzofuran-2-yl)-7-methyl-2-oxochromen-6-yl]oxyacetamide is sourced from PubChem (CID 7295581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).