2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[(1-phenylpyrrolidin-2-yl)methyl]acetamide

C23H28N2O3 — CID 90619793

About 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[(1-phenylpyrrolidin-2-yl)methyl]acetamide

2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[(1-phenylpyrrolidin-2-yl)methyl]acetamide (PubChem CID 90619793) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[(1-phenylpyrrolidin-2-yl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[(1-phenylpyrrolidin-2-yl)methyl]acetamide
• PubChem CID: 90619793
• Molecular Formula: C23H28N2O3
• Molecular Weight: 380.49 g/mol
• Exact Mass: 380.21
• IUPAC Name: 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[(1-phenylpyrrolidin-2-yl)methyl]acetamide
• SMILES: CC1(C)Cc2cccc(OCC(=O)NCC3CCCN3c3ccccc3)c2O1
• InChI: InChI=1S/C23H28N2O3/c1-23(2)14-17-8-6-12-20(22(17)28-23)27-16-21(26)24-15-19-11-7-13-25(19)18-9-4-3-5-10-18/h3-6,8-10,12,19H,7,11,13-16H2,1-2H3,(H,24,26)
• InChIKey: PYMAGBUQSGDJNS-UHFFFAOYSA-N
• XLogP: 3.56
• TPSA: 50.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.49
LogP ≤ 5	3.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[(1-phenylpyrrolidin-2-yl)methyl]acetamide (CID 90619793) is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[(1-phenylpyrrolidin-2-yl)methyl]acetamide.

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

The canonical SMILES for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[(1-phenylpyrrolidin-2-yl)methyl]acetamide is CC1(C)Cc2cccc(OCC(=O)NCC3CCCN3c3ccccc3)c2O1.

What is the InChIKey of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[(1-phenylpyrrolidin-2-yl)methyl]acetamide?

The InChIKey is PYMAGBUQSGDJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-23(2)14-17-8-6-12-20(22(17)28-23)27-16-21(26)24-15-19-11-7-13-25(19)18-9-4-3-5-10-18/h3-6,8-10,12,19H,7,11,13-16H2,1-2H3,(H,24,26).

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

2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[(1-phenylpyrrolidin-2-yl)methyl]acetamide has a molecular weight of 380.49 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[(1-phenylpyrrolidin-2-yl)methyl]acetamide is sourced from PubChem (CID 90619793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).