3-(2,3-dihydro-1H-inden-2-yl)-1-ethyl-8-[[4-(furan-2-yl)phenyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

C29H31N3O3 — CID 26224701

About 3-(2,3-dihydro-1H-inden-2-yl)-1-ethyl-8-[[4-(furan-2-yl)phenyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

3-(2,3-dihydro-1H-inden-2-yl)-1-ethyl-8-[[4-(furan-2-yl)phenyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 26224701) has the molecular formula C29H31N3O3 and a molecular weight of 469.59 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-2-yl)-1-ethyl-8-[[4-(furan-2-yl)phenyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

• Compound Name: 3-(2,3-dihydro-1H-inden-2-yl)-1-ethyl-8-[[4-(furan-2-yl)phenyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
• PubChem CID: 26224701
• Molecular Formula: C29H31N3O3
• Molecular Weight: 469.59 g/mol
• Exact Mass: 469.24
• IUPAC Name: 3-(2,3-dihydro-1H-inden-2-yl)-1-ethyl-8-[[4-(furan-2-yl)phenyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
• SMILES: CCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CCN(Cc1ccc(-c3ccco3)cc1)CC2
• InChI: InChI=1S/C29H31N3O3/c1-2-31-28(34)32(25-18-23-6-3-4-7-24(23)19-25)27(33)29(31)13-15-30(16-14-29)20-21-9-11-22(12-10-21)26-8-5-17-35-26/h3-12,17,25H,2,13-16,18-20H2,1H3
• InChIKey: BDEWOEYINIDKIE-UHFFFAOYSA-N
• XLogP: 4.73
• TPSA: 57.00 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.59
LogP ≤ 5	4.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-2-yl)-1-ethyl-8-[[4-(furan-2-yl)phenyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?

The IUPAC name of 3-(2,3-dihydro-1H-inden-2-yl)-1-ethyl-8-[[4-(furan-2-yl)phenyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 26224701) is 3-(2,3-dihydro-1H-inden-2-yl)-1-ethyl-8-[[4-(furan-2-yl)phenyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.

What is the SMILES notation for 3-(2,3-dihydro-1H-inden-2-yl)-1-ethyl-8-[[4-(furan-2-yl)phenyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?

The canonical SMILES for 3-(2,3-dihydro-1H-inden-2-yl)-1-ethyl-8-[[4-(furan-2-yl)phenyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is CCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CCN(Cc1ccc(-c3ccco3)cc1)CC2.

What is the InChIKey of 3-(2,3-dihydro-1H-inden-2-yl)-1-ethyl-8-[[4-(furan-2-yl)phenyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?

The InChIKey is BDEWOEYINIDKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O3/c1-2-31-28(34)32(25-18-23-6-3-4-7-24(23)19-25)27(33)29(31)13-15-30(16-14-29)20-21-9-11-22(12-10-21)26-8-5-17-35-26/h3-12,17,25H,2,13-16,18-20H2,1H3.

What are the key properties of 3-(2,3-dihydro-1H-inden-2-yl)-1-ethyl-8-[[4-(furan-2-yl)phenyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?

3-(2,3-dihydro-1H-inden-2-yl)-1-ethyl-8-[[4-(furan-2-yl)phenyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 469.59 g/mol, XLogP of 4.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,3-dihydro-1H-inden-2-yl)-1-ethyl-8-[[4-(furan-2-yl)phenyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 26224701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).