N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-3-(methoxymethyl)benzamide

C21H25NO4 — CID 24550200

About N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-3-(methoxymethyl)benzamide

N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-3-(methoxymethyl)benzamide (PubChem CID 24550200) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-3-(methoxymethyl)benzamide.

Molecular Properties

• Compound Name: N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-3-(methoxymethyl)benzamide
• PubChem CID: 24550200
• Molecular Formula: C21H25NO4
• Molecular Weight: 355.43 g/mol
• Exact Mass: 355.18
• IUPAC Name: N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-3-(methoxymethyl)benzamide
• SMILES: CCOc1cc2c(cc1CNC(=O)c1cccc(COC)c1)OC(C)C2
• InChI: InChI=1S/C21H25NO4/c1-4-25-19-10-17-8-14(2)26-20(17)11-18(19)12-22-21(23)16-7-5-6-15(9-16)13-24-3/h5-7,9-11,14H,4,8,12-13H2,1-3H3,(H,22,23)
• InChIKey: GRONBFGXEIGCJZ-UHFFFAOYSA-N
• XLogP: 3.49
• TPSA: 56.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	355.43
LogP ≤ 5	3.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-3-(methoxymethyl)benzamide?

The IUPAC name of N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-3-(methoxymethyl)benzamide (CID 24550200) is N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-3-(methoxymethyl)benzamide.

What is the SMILES notation for N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-3-(methoxymethyl)benzamide?

The canonical SMILES for N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-3-(methoxymethyl)benzamide is CCOc1cc2c(cc1CNC(=O)c1cccc(COC)c1)OC(C)C2.

What is the InChIKey of N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-3-(methoxymethyl)benzamide?

The InChIKey is GRONBFGXEIGCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4/c1-4-25-19-10-17-8-14(2)26-20(17)11-18(19)12-22-21(23)16-7-5-6-15(9-16)13-24-3/h5-7,9-11,14H,4,8,12-13H2,1-3H3,(H,22,23).

What are the key properties of N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-3-(methoxymethyl)benzamide?

N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-3-(methoxymethyl)benzamide has a molecular weight of 355.43 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-3-(methoxymethyl)benzamide is sourced from PubChem (CID 24550200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).