2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide

C20H28N2O3 — CID 120888254

About 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide

2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide (PubChem CID 120888254) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide.

Molecular Properties

• Compound Name: 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide
• PubChem CID: 120888254
• Molecular Formula: C20H28N2O3
• Molecular Weight: 344.46 g/mol
• Exact Mass: 344.21
• IUPAC Name: 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide
• SMILES: COCC1(CNC(=O)Cc2coc3c(C)c(C)ccc23)CCNCC1
• InChI: InChI=1S/C20H28N2O3/c1-14-4-5-17-16(11-25-19(17)15(14)2)10-18(23)22-12-20(13-24-3)6-8-21-9-7-20/h4-5,11,21H,6-10,12-13H2,1-3H3,(H,22,23)
• InChIKey: VFKNQCQCOKFCFQ-UHFFFAOYSA-N
• XLogP: 2.72
• TPSA: 63.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	344.46
LogP ≤ 5	2.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide?

The IUPAC name of 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide (CID 120888254) is 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide.

What is the SMILES notation for 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide?

The canonical SMILES for 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide is COCC1(CNC(=O)Cc2coc3c(C)c(C)ccc23)CCNCC1.

What is the InChIKey of 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide?

The InChIKey is VFKNQCQCOKFCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-14-4-5-17-16(11-25-19(17)15(14)2)10-18(23)22-12-20(13-24-3)6-8-21-9-7-20/h4-5,11,21H,6-10,12-13H2,1-3H3,(H,22,23).

What are the key properties of 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide?

2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide has a molecular weight of 344.46 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 120888254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).