2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-[(2,5-dimethoxyphenyl)methyl]acetamide

C22H23NO4 — CID 33111138

About 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-[(2,5-dimethoxyphenyl)methyl]acetamide

2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-[(2,5-dimethoxyphenyl)methyl]acetamide (PubChem CID 33111138) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-[(2,5-dimethoxyphenyl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-[(2,5-dimethoxyphenyl)methyl]acetamide
• PubChem CID: 33111138
• Molecular Formula: C22H23NO4
• Molecular Weight: 365.43 g/mol
• Exact Mass: 365.16
• IUPAC Name: 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-[(2,5-dimethoxyphenyl)methyl]acetamide
• SMILES: COc1ccc(OC)c(CNC(=O)Cc2coc3cc4c(cc23)CCC4)c1
• InChI: InChI=1S/C22H23NO4/c1-25-18-6-7-20(26-2)16(8-18)12-23-22(24)11-17-13-27-21-10-15-5-3-4-14(15)9-19(17)21/h6-10,13H,3-5,11-12H2,1-2H3,(H,23,24)
• InChIKey: CLFLGSVLJUFCET-UHFFFAOYSA-N
• XLogP: 3.80
• TPSA: 60.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.43
LogP ≤ 5	3.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-[(2,5-dimethoxyphenyl)methyl]acetamide?

The IUPAC name of 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-[(2,5-dimethoxyphenyl)methyl]acetamide (CID 33111138) is 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-[(2,5-dimethoxyphenyl)methyl]acetamide.

What is the SMILES notation for 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-[(2,5-dimethoxyphenyl)methyl]acetamide?

The canonical SMILES for 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-[(2,5-dimethoxyphenyl)methyl]acetamide is COc1ccc(OC)c(CNC(=O)Cc2coc3cc4c(cc23)CCC4)c1.

What is the InChIKey of 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-[(2,5-dimethoxyphenyl)methyl]acetamide?

The InChIKey is CLFLGSVLJUFCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO4/c1-25-18-6-7-20(26-2)16(8-18)12-23-22(24)11-17-13-27-21-10-15-5-3-4-14(15)9-19(17)21/h6-10,13H,3-5,11-12H2,1-2H3,(H,23,24).

What are the key properties of 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-[(2,5-dimethoxyphenyl)methyl]acetamide?

2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-[(2,5-dimethoxyphenyl)methyl]acetamide has a molecular weight of 365.43 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-[(2,5-dimethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 33111138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).