2-(6-methyl-1-benzofuran-3-yl)-N-(4-methyl-2-oxochromen-7-yl)acetamide

C21H17NO4 — CID 17456098

IUPAC2-(6-methyl-1-benzofuran-3-yl)-N-(4-methyl-2-oxochromen-7-yl)acetamide
SMILESCc1ccc2c(CC(=O)Nc3ccc4c(C)cc(=O)oc4c3)coc2c1
InChIInChI=1S/C21H17NO4/c1-12-3-5-17-14(11-25-18(17)7-12)9-20(23)22-15-4-6-16-13(2)8-21(24)26-19(16)10-15/h3-8,10-11H,9H2,1-2H3,(H,22,23)
InChIKeyZDCXAEBGZLNEIH-UHFFFAOYSA-N
MW347.37 g/mol
LogP4.34
Rot. Bonds3

About 2-(6-methyl-1-benzofuran-3-yl)-N-(4-methyl-2-oxochromen-7-yl)acetamide

2-(6-methyl-1-benzofuran-3-yl)-N-(4-methyl-2-oxochromen-7-yl)acetamide (PubChem CID 17456098) has the molecular formula C21H17NO4 and a molecular weight of 347.37 g/mol. Its IUPAC name is 2-(6-methyl-1-benzofuran-3-yl)-N-(4-methyl-2-oxochromen-7-yl)acetamide.

Molecular Properties

Compound Name2-(6-methyl-1-benzofuran-3-yl)-N-(4-methyl-2-oxochromen-7-yl)acetamide
PubChem CID17456098
Molecular FormulaC21H17NO4
Molecular Weight347.37 g/mol
Exact Mass347.12
IUPAC Name2-(6-methyl-1-benzofuran-3-yl)-N-(4-methyl-2-oxochromen-7-yl)acetamide
SMILESCc1ccc2c(CC(=O)Nc3ccc4c(C)cc(=O)oc4c3)coc2c1
InChIInChI=1S/C21H17NO4/c1-12-3-5-17-14(11-25-18(17)7-12)9-20(23)22-15-4-6-16-13(2)8-21(24)26-19(16)10-15/h3-8,10-11H,9H2,1-2H3,(H,22,23)
InChIKeyZDCXAEBGZLNEIH-UHFFFAOYSA-N
XLogP4.34
TPSA72.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(4-methyl-2-oxochromen-7-yl)acetamide
CID 688482
2-[4-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]phenyl]acetamide
CID 31856404
N-(3,5-dichlorophenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 3968592
N-(3-acetylphenyl)-2-(7-methyl-2-oxochromen-4-yl)acetamide
CID 41180290
2-(3,4-dimethoxyphenyl)-N-(4-methyl-2-oxochromen-7-yl)acetamide
CID 2166757
N-(4-methyl-2-oxochromen-7-yl)-2-naphthalen-2-ylacetamide
CID 26878478
N-[3,5-bis(trifluoromethyl)phenyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 7926545
N-[4-(dimethylsulfamoyl)phenyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 4875706
methyl 3-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]benzoate
CID 2676406
N-[4-(difluoromethylsulfanyl)phenyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 7944860
N-(4-methyl-2-oxochromen-7-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 171911797
N'-hydroxy-N-(4-methyl-2-oxochromen-7-yl)octanediamide
CID 53393956

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-1-benzofuran-3-yl)-N-(4-methyl-2-oxochromen-7-yl)acetamide?
The IUPAC name of 2-(6-methyl-1-benzofuran-3-yl)-N-(4-methyl-2-oxochromen-7-yl)acetamide (CID 17456098) is 2-(6-methyl-1-benzofuran-3-yl)-N-(4-methyl-2-oxochromen-7-yl)acetamide.
What is the SMILES notation for 2-(6-methyl-1-benzofuran-3-yl)-N-(4-methyl-2-oxochromen-7-yl)acetamide?
The canonical SMILES for 2-(6-methyl-1-benzofuran-3-yl)-N-(4-methyl-2-oxochromen-7-yl)acetamide is Cc1ccc2c(CC(=O)Nc3ccc4c(C)cc(=O)oc4c3)coc2c1.
What is the InChIKey of 2-(6-methyl-1-benzofuran-3-yl)-N-(4-methyl-2-oxochromen-7-yl)acetamide?
The InChIKey is ZDCXAEBGZLNEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO4/c1-12-3-5-17-14(11-25-18(17)7-12)9-20(23)22-15-4-6-16-13(2)8-21(24)26-19(16)10-15/h3-8,10-11H,9H2,1-2H3,(H,22,23).
What are the key properties of 2-(6-methyl-1-benzofuran-3-yl)-N-(4-methyl-2-oxochromen-7-yl)acetamide?
2-(6-methyl-1-benzofuran-3-yl)-N-(4-methyl-2-oxochromen-7-yl)acetamide has a molecular weight of 347.37 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-1-benzofuran-3-yl)-N-(4-methyl-2-oxochromen-7-yl)acetamide is sourced from PubChem (CID 17456098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).