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

C23H25NO2 — CID 3656609

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

N-(2-butan-2-ylphenyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide (PubChem CID 3656609) has the molecular formula C23H25NO2 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-(2-butan-2-ylphenyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide.

Molecular Properties

• Compound Name: N-(2-butan-2-ylphenyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide
• PubChem CID: 3656609
• Molecular Formula: C23H25NO2
• Molecular Weight: 347.46 g/mol
• Exact Mass: 347.19
• IUPAC Name: N-(2-butan-2-ylphenyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide
• SMILES: CCC(C)c1ccccc1NC(=O)Cc1coc2cc3c(cc12)CCC3
• InChI: InChI=1S/C23H25NO2/c1-3-15(2)19-9-4-5-10-21(19)24-23(25)13-18-14-26-22-12-17-8-6-7-16(17)11-20(18)22/h4-5,9-12,14-15H,3,6-8,13H2,1-2H3,(H,24,25)
• InChIKey: FRVYEAKDSCGKFN-UHFFFAOYSA-N
• XLogP: 5.62
• TPSA: 42.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	347.46
LogP ≤ 5	5.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

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

The IUPAC name of N-(2-butan-2-ylphenyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide (CID 3656609) is N-(2-butan-2-ylphenyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide.

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

The canonical SMILES for N-(2-butan-2-ylphenyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide is CCC(C)c1ccccc1NC(=O)Cc1coc2cc3c(cc12)CCC3.

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

The InChIKey is FRVYEAKDSCGKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO2/c1-3-15(2)19-9-4-5-10-21(19)24-23(25)13-18-14-26-22-12-17-8-6-7-16(17)11-20(18)22/h4-5,9-12,14-15H,3,6-8,13H2,1-2H3,(H,24,25).

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

N-(2-butan-2-ylphenyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide has a molecular weight of 347.46 g/mol, XLogP of 5.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-butan-2-ylphenyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide is sourced from PubChem (CID 3656609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).