8-[[3-(furan-2-yl)phenyl]methyl]-1-(2-methoxyethyl)-3-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C27H30N4O4 — CID 26230537

About 8-[[3-(furan-2-yl)phenyl]methyl]-1-(2-methoxyethyl)-3-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-[[3-(furan-2-yl)phenyl]methyl]-1-(2-methoxyethyl)-3-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 26230537) has the molecular formula C27H30N4O4 and a molecular weight of 474.56 g/mol. Its IUPAC name is 8-[[3-(furan-2-yl)phenyl]methyl]-1-(2-methoxyethyl)-3-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

• Compound Name: 8-[[3-(furan-2-yl)phenyl]methyl]-1-(2-methoxyethyl)-3-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• PubChem CID: 26230537
• Molecular Formula: C27H30N4O4
• Molecular Weight: 474.56 g/mol
• Exact Mass: 474.23
• IUPAC Name: 8-[[3-(furan-2-yl)phenyl]methyl]-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(Cc1cccc(-c3ccco3)c1)CC2
• InChI: InChI=1S/C27H30N4O4/c1-34-16-14-31-26(33)30(20-22-6-3-11-28-18-22)25(32)27(31)9-12-29(13-10-27)19-21-5-2-7-23(17-21)24-8-4-15-35-24/h2-8,11,15,17-18H,9-10,12-14,16,19-20H2,1H3
• InChIKey: QXBCSPCKCHQMAL-UHFFFAOYSA-N
• XLogP: 3.79
• TPSA: 79.12 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.56
LogP ≤ 5	3.79
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-[[3-(furan-2-yl)phenyl]methyl]-1-(2-methoxyethyl)-3-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?

The IUPAC name of 8-[[3-(furan-2-yl)phenyl]methyl]-1-(2-methoxyethyl)-3-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 26230537) is 8-[[3-(furan-2-yl)phenyl]methyl]-1-(2-methoxyethyl)-3-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

What is the SMILES notation for 8-[[3-(furan-2-yl)phenyl]methyl]-1-(2-methoxyethyl)-3-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?

The canonical SMILES for 8-[[3-(furan-2-yl)phenyl]methyl]-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(Cc1cccc(-c3ccco3)c1)CC2.

What is the InChIKey of 8-[[3-(furan-2-yl)phenyl]methyl]-1-(2-methoxyethyl)-3-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?

The InChIKey is QXBCSPCKCHQMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O4/c1-34-16-14-31-26(33)30(20-22-6-3-11-28-18-22)25(32)27(31)9-12-29(13-10-27)19-21-5-2-7-23(17-21)24-8-4-15-35-24/h2-8,11,15,17-18H,9-10,12-14,16,19-20H2,1H3.

What are the key properties of 8-[[3-(furan-2-yl)phenyl]methyl]-1-(2-methoxyethyl)-3-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?

8-[[3-(furan-2-yl)phenyl]methyl]-1-(2-methoxyethyl)-3-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 474.56 g/mol, XLogP of 3.79, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[[3-(furan-2-yl)phenyl]methyl]-1-(2-methoxyethyl)-3-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 26230537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).