N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide

C26H23NO5 — CID 32517009

About N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide (PubChem CID 32517009) has the molecular formula C26H23NO5 and a molecular weight of 429.47 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

• Compound Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
• PubChem CID: 32517009
• Molecular Formula: C26H23NO5
• Molecular Weight: 429.47 g/mol
• Exact Mass: 429.16
• IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
• SMILES: CN(Cc1ccc2c(c1)OCCO2)C(=O)c1oc2ccccc2c1COc1ccccc1
• InChI: InChI=1S/C26H23NO5/c1-27(16-18-11-12-23-24(15-18)30-14-13-29-23)26(28)25-21(17-31-19-7-3-2-4-8-19)20-9-5-6-10-22(20)32-25/h2-12,15H,13-14,16-17H2,1H3
• InChIKey: AQKWQOHHZZHILT-UHFFFAOYSA-N
• XLogP: 5.06
• TPSA: 61.14 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	429.47
LogP ≤ 5	5.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide?

The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide (CID 32517009) is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide.

What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide?

The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide is CN(Cc1ccc2c(c1)OCCO2)C(=O)c1oc2ccccc2c1COc1ccccc1.

What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide?

The InChIKey is AQKWQOHHZZHILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO5/c1-27(16-18-11-12-23-24(15-18)30-14-13-29-23)26(28)25-21(17-31-19-7-3-2-4-8-19)20-9-5-6-10-22(20)32-25/h2-12,15H,13-14,16-17H2,1H3.

What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide?

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide has a molecular weight of 429.47 g/mol, XLogP of 5.06, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 32517009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).