2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]acetamide

C20H24N2O5 — CID 72719917

About 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]acetamide

2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]acetamide (PubChem CID 72719917) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]acetamide.

Molecular Properties

• Compound Name: 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]acetamide
• PubChem CID: 72719917
• Molecular Formula: C20H24N2O5
• Molecular Weight: 372.42 g/mol
• Exact Mass: 372.17
• IUPAC Name: 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]acetamide
• SMILES: CC1(C)Cc2cccc(OCC(=O)NCC(O)Cn3ccccc3=O)c2O1
• InChI: InChI=1S/C20H24N2O5/c1-20(2)10-14-6-5-7-16(19(14)27-20)26-13-17(24)21-11-15(23)12-22-9-4-3-8-18(22)25/h3-9,15,23H,10-13H2,1-2H3,(H,21,24)
• InChIKey: XZNCRFJSEAOHFP-UHFFFAOYSA-N
• XLogP: 1.12
• TPSA: 89.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	372.42
LogP ≤ 5	1.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]acetamide?

The IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]acetamide (CID 72719917) is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]acetamide.

What is the SMILES notation for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]acetamide?

The canonical SMILES for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]acetamide is CC1(C)Cc2cccc(OCC(=O)NCC(O)Cn3ccccc3=O)c2O1.

What is the InChIKey of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]acetamide?

The InChIKey is XZNCRFJSEAOHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5/c1-20(2)10-14-6-5-7-16(19(14)27-20)26-13-17(24)21-11-15(23)12-22-9-4-3-8-18(22)25/h3-9,15,23H,10-13H2,1-2H3,(H,21,24).

What are the key properties of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]acetamide?

2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]acetamide has a molecular weight of 372.42 g/mol, XLogP of 1.12, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]acetamide is sourced from PubChem (CID 72719917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).