N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-methylacetamide

C26H30N2O5 — CID 2536169

About N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-methylacetamide

N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-methylacetamide (PubChem CID 2536169) has the molecular formula C26H30N2O5 and a molecular weight of 450.54 g/mol. Its IUPAC name is N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-methylacetamide.

Molecular Properties

• Compound Name: N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-methylacetamide
• PubChem CID: 2536169
• Molecular Formula: C26H30N2O5
• Molecular Weight: 450.54 g/mol
• Exact Mass: 450.22
• IUPAC Name: N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-methylacetamide
• SMILES: CCOc1ccc(NC(=O)CN(C)C(=O)Cc2coc3cc4c(cc23)CCC4)cc1OCC
• InChI: InChI=1S/C26H30N2O5/c1-4-31-22-10-9-20(14-24(22)32-5-2)27-25(29)15-28(3)26(30)13-19-16-33-23-12-18-8-6-7-17(18)11-21(19)23/h9-12,14,16H,4-8,13,15H2,1-3H3,(H,27,29)
• InChIKey: VGCCFLCOWTZYQE-UHFFFAOYSA-N
• XLogP: 4.36
• TPSA: 81.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.54
LogP ≤ 5	4.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-methylacetamide?

The IUPAC name of N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-methylacetamide (CID 2536169) is N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-methylacetamide.

What is the SMILES notation for N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-methylacetamide?

The canonical SMILES for N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-methylacetamide is CCOc1ccc(NC(=O)CN(C)C(=O)Cc2coc3cc4c(cc23)CCC4)cc1OCC.

What is the InChIKey of N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-methylacetamide?

The InChIKey is VGCCFLCOWTZYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O5/c1-4-31-22-10-9-20(14-24(22)32-5-2)27-25(29)15-28(3)26(30)13-19-16-33-23-12-18-8-6-7-17(18)11-21(19)23/h9-12,14,16H,4-8,13,15H2,1-3H3,(H,27,29).

What are the key properties of N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-methylacetamide?

N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-methylacetamide has a molecular weight of 450.54 g/mol, XLogP of 4.36, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-methylacetamide is sourced from PubChem (CID 2536169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).