6-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(2-methoxyphenyl)-6-azaspiro[2.5]octane-2-carboxamide

C24H28N2O3 — CID 126467539

About 6-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(2-methoxyphenyl)-6-azaspiro[2.5]octane-2-carboxamide

6-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(2-methoxyphenyl)-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 126467539) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is 6-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(2-methoxyphenyl)-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

• Compound Name: 6-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(2-methoxyphenyl)-6-azaspiro[2.5]octane-2-carboxamide
• PubChem CID: 126467539
• Molecular Formula: C24H28N2O3
• Molecular Weight: 392.50 g/mol
• Exact Mass: 392.21
• IUPAC Name: 6-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(2-methoxyphenyl)-6-azaspiro[2.5]octane-2-carboxamide
• SMILES: COc1ccccc1NC(=O)C1CC12CCN(Cc1ccc3c(c1)CCO3)CC2
• InChI: InChI=1S/C24H28N2O3/c1-28-22-5-3-2-4-20(22)25-23(27)19-15-24(19)9-11-26(12-10-24)16-17-6-7-21-18(14-17)8-13-29-21/h2-7,14,19H,8-13,15-16H2,1H3,(H,25,27)
• InChIKey: GNMGZEIZMQZBNS-UHFFFAOYSA-N
• XLogP: 3.87
• TPSA: 50.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.50
LogP ≤ 5	3.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(2-methoxyphenyl)-6-azaspiro[2.5]octane-2-carboxamide?

The IUPAC name of 6-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(2-methoxyphenyl)-6-azaspiro[2.5]octane-2-carboxamide (CID 126467539) is 6-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(2-methoxyphenyl)-6-azaspiro[2.5]octane-2-carboxamide.

What is the SMILES notation for 6-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(2-methoxyphenyl)-6-azaspiro[2.5]octane-2-carboxamide?

The canonical SMILES for 6-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(2-methoxyphenyl)-6-azaspiro[2.5]octane-2-carboxamide is COc1ccccc1NC(=O)C1CC12CCN(Cc1ccc3c(c1)CCO3)CC2.

What is the InChIKey of 6-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(2-methoxyphenyl)-6-azaspiro[2.5]octane-2-carboxamide?

The InChIKey is GNMGZEIZMQZBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-28-22-5-3-2-4-20(22)25-23(27)19-15-24(19)9-11-26(12-10-24)16-17-6-7-21-18(14-17)8-13-29-21/h2-7,14,19H,8-13,15-16H2,1H3,(H,25,27).

What are the key properties of 6-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(2-methoxyphenyl)-6-azaspiro[2.5]octane-2-carboxamide?

6-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(2-methoxyphenyl)-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 392.50 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(2-methoxyphenyl)-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 126467539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).