N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-3-methylbenzo[g][1]benzofuran-2-carboxamide

C26H24N2O5 — CID 46555009

About N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-3-methylbenzo[g][1]benzofuran-2-carboxamide

N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-3-methylbenzo[g][1]benzofuran-2-carboxamide (PubChem CID 46555009) has the molecular formula C26H24N2O5 and a molecular weight of 444.49 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-3-methylbenzo[g][1]benzofuran-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-3-methylbenzo[g][1]benzofuran-2-carboxamide
• PubChem CID: 46555009
• Molecular Formula: C26H24N2O5
• Molecular Weight: 444.49 g/mol
• Exact Mass: 444.17
• IUPAC Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-3-methylbenzo[g][1]benzofuran-2-carboxamide
• SMILES: CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1oc2c(ccc3ccccc32)c1C
• InChI: InChI=1S/C26H24N2O5/c1-3-28(15-23(29)27-18-9-11-21-22(14-18)32-13-12-31-21)26(30)24-16(2)19-10-8-17-6-4-5-7-20(17)25(19)33-24/h4-11,14H,3,12-13,15H2,1-2H3,(H,27,29)
• InChIKey: UJQYYDWHFDAUCJ-UHFFFAOYSA-N
• XLogP: 4.77
• TPSA: 81.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.49
LogP ≤ 5	4.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-3-methylbenzo[g][1]benzofuran-2-carboxamide?

The IUPAC name of N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-3-methylbenzo[g][1]benzofuran-2-carboxamide (CID 46555009) is N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-3-methylbenzo[g][1]benzofuran-2-carboxamide.

What is the SMILES notation for N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-3-methylbenzo[g][1]benzofuran-2-carboxamide?

The canonical SMILES for N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-3-methylbenzo[g][1]benzofuran-2-carboxamide is CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1oc2c(ccc3ccccc32)c1C.

What is the InChIKey of N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-3-methylbenzo[g][1]benzofuran-2-carboxamide?

The InChIKey is UJQYYDWHFDAUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O5/c1-3-28(15-23(29)27-18-9-11-21-22(14-18)32-13-12-31-21)26(30)24-16(2)19-10-8-17-6-4-5-7-20(17)25(19)33-24/h4-11,14H,3,12-13,15H2,1-2H3,(H,27,29).

What are the key properties of N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-3-methylbenzo[g][1]benzofuran-2-carboxamide?

N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-3-methylbenzo[g][1]benzofuran-2-carboxamide has a molecular weight of 444.49 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-3-methylbenzo[g][1]benzofuran-2-carboxamide is sourced from PubChem (CID 46555009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).