1-benzofuran-3-yl-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]methanone

C19H23NO4 — CID 97216153

About 1-benzofuran-3-yl-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]methanone

1-benzofuran-3-yl-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]methanone (PubChem CID 97216153) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-benzofuran-3-yl-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]methanone.

Molecular Properties

• Compound Name: 1-benzofuran-3-yl-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]methanone
• PubChem CID: 97216153
• Molecular Formula: C19H23NO4
• Molecular Weight: 329.40 g/mol
• Exact Mass: 329.16
• IUPAC Name: 1-benzofuran-3-yl-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]methanone
• SMILES: CCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1coc3ccccc13)CC2
• InChI: InChI=1S/C19H23NO4/c1-2-23-17-11-16(21)19(17)7-9-20(10-8-19)18(22)14-12-24-15-6-4-3-5-13(14)15/h3-6,12,16-17,21H,2,7-11H2,1H3/t16-,17+/m1/s1
• InChIKey: NKSJKPOBQMFIBQ-SJORKVTESA-N
• XLogP: 2.82
• TPSA: 62.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	329.40
LogP ≤ 5	2.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-3-yl-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]methanone?

The IUPAC name of 1-benzofuran-3-yl-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]methanone (CID 97216153) is 1-benzofuran-3-yl-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]methanone.

What is the SMILES notation for 1-benzofuran-3-yl-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]methanone?

The canonical SMILES for 1-benzofuran-3-yl-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]methanone is CCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1coc3ccccc13)CC2.

What is the InChIKey of 1-benzofuran-3-yl-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]methanone?

The InChIKey is NKSJKPOBQMFIBQ-SJORKVTESA-N. The full InChI is InChI=1S/C19H23NO4/c1-2-23-17-11-16(21)19(17)7-9-20(10-8-19)18(22)14-12-24-15-6-4-3-5-13(14)15/h3-6,12,16-17,21H,2,7-11H2,1H3/t16-,17+/m1/s1.

What are the key properties of 1-benzofuran-3-yl-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]methanone?

1-benzofuran-3-yl-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]methanone has a molecular weight of 329.40 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzofuran-3-yl-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]methanone is sourced from PubChem (CID 97216153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).