8-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(2-methoxyethyl)-3-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C25H30N4O4 — CID 26233429

About 8-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(2-methoxyethyl)-3-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(2-methoxyethyl)-3-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 26233429) has the molecular formula C25H30N4O4 and a molecular weight of 450.54 g/mol. Its IUPAC name is 8-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(2-methoxyethyl)-3-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

• Compound Name: 8-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(2-methoxyethyl)-3-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• PubChem CID: 26233429
• Molecular Formula: C25H30N4O4
• Molecular Weight: 450.54 g/mol
• Exact Mass: 450.23
• IUPAC Name: 8-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(2-methoxyethyl)-3-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• SMILES: COCCN1C(=O)N(Cc2cccnc2)C(=O)C12CCN(Cc1ccc3c(c1)CCO3)CC2
• InChI: InChI=1S/C25H30N4O4/c1-32-14-12-29-24(31)28(18-20-3-2-9-26-16-20)23(30)25(29)7-10-27(11-8-25)17-19-4-5-22-21(15-19)6-13-33-22/h2-5,9,15-16H,6-8,10-14,17-18H2,1H3
• InChIKey: AVLVFOPAGNJRRG-UHFFFAOYSA-N
• XLogP: 2.46
• TPSA: 75.21 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.54
LogP ≤ 5	2.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(2-methoxyethyl)-3-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?

The IUPAC name of 8-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(2-methoxyethyl)-3-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 26233429) is 8-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(2-methoxyethyl)-3-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

What is the SMILES notation for 8-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(2-methoxyethyl)-3-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?

The canonical SMILES for 8-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(2-methoxyethyl)-3-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is COCCN1C(=O)N(Cc2cccnc2)C(=O)C12CCN(Cc1ccc3c(c1)CCO3)CC2.

What is the InChIKey of 8-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(2-methoxyethyl)-3-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?

The InChIKey is AVLVFOPAGNJRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O4/c1-32-14-12-29-24(31)28(18-20-3-2-9-26-16-20)23(30)25(29)7-10-27(11-8-25)17-19-4-5-22-21(15-19)6-13-33-22/h2-5,9,15-16H,6-8,10-14,17-18H2,1H3.

What are the key properties of 8-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(2-methoxyethyl)-3-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?

8-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(2-methoxyethyl)-3-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 450.54 g/mol, XLogP of 2.46, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(2-methoxyethyl)-3-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 26233429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).