2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide

C30H28N2O3 — CID 24685493

About 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide

2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide (PubChem CID 24685493) has the molecular formula C30H28N2O3 and a molecular weight of 464.57 g/mol. Its IUPAC name is 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide.

Molecular Properties

• Compound Name: 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide
• PubChem CID: 24685493
• Molecular Formula: C30H28N2O3
• Molecular Weight: 464.57 g/mol
• Exact Mass: 464.21
• IUPAC Name: 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide
• SMILES: COc1ccc(C(CNC(=O)Cc2coc3cc4c(cc23)CCC4)c2c[nH]c3ccccc23)cc1
• InChI: InChI=1S/C30H28N2O3/c1-34-23-11-9-19(10-12-23)26(27-17-31-28-8-3-2-7-24(27)28)16-32-30(33)15-22-18-35-29-14-21-6-4-5-20(21)13-25(22)29/h2-3,7-14,17-18,26,31H,4-6,15-16H2,1H3,(H,32,33)
• InChIKey: CWEHWXHWNKWOHR-UHFFFAOYSA-N
• XLogP: 5.90
• TPSA: 67.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	464.57
LogP ≤ 5	5.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide?

The IUPAC name of 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide (CID 24685493) is 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide.

What is the SMILES notation for 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide?

The canonical SMILES for 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide is COc1ccc(C(CNC(=O)Cc2coc3cc4c(cc23)CCC4)c2c[nH]c3ccccc23)cc1.

What is the InChIKey of 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide?

The InChIKey is CWEHWXHWNKWOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2O3/c1-34-23-11-9-19(10-12-23)26(27-17-31-28-8-3-2-7-24(27)28)16-32-30(33)15-22-18-35-29-14-21-6-4-5-20(21)13-25(22)29/h2-3,7-14,17-18,26,31H,4-6,15-16H2,1H3,(H,32,33).

What are the key properties of 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide?

2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide has a molecular weight of 464.57 g/mol, XLogP of 5.90, 7 rotatable bonds, 2 hydrogen bond donors, and 3 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-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 24685493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).