N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-ethylacetamide

C24H25NO4 — CID 26072038

About N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-ethylacetamide

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-ethylacetamide (PubChem CID 26072038) has the molecular formula C24H25NO4 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-ethylacetamide.

Molecular Properties

• Compound Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-ethylacetamide
• PubChem CID: 26072038
• Molecular Formula: C24H25NO4
• Molecular Weight: 391.47 g/mol
• Exact Mass: 391.18
• IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-ethylacetamide
• SMILES: CCN(Cc1ccc2c(c1)OCCO2)C(=O)Cc1coc2cc3c(cc12)CCC3
• InChI: InChI=1S/C24H25NO4/c1-2-25(14-16-6-7-21-23(10-16)28-9-8-27-21)24(26)13-19-15-29-22-12-18-5-3-4-17(18)11-20(19)22/h6-7,10-12,15H,2-5,8-9,13-14H2,1H3
• InChIKey: CADWDOHCMLYRQV-UHFFFAOYSA-N
• XLogP: 4.28
• TPSA: 51.91 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.47
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-ethylacetamide (CID 26072038) is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-ethylacetamide.

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

The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-ethylacetamide is CCN(Cc1ccc2c(c1)OCCO2)C(=O)Cc1coc2cc3c(cc12)CCC3.

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

The InChIKey is CADWDOHCMLYRQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO4/c1-2-25(14-16-6-7-21-23(10-16)28-9-8-27-21)24(26)13-19-15-29-22-12-18-5-3-4-17(18)11-20(19)22/h6-7,10-12,15H,2-5,8-9,13-14H2,1H3.

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

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-ethylacetamide has a molecular weight of 391.47 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-ethylacetamide is sourced from PubChem (CID 26072038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).