1-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-[[2-(trifluoromethyl)phenyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

C25H28F3N3O3 — CID 26225065

About 1-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-[[2-(trifluoromethyl)phenyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

1-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-[[2-(trifluoromethyl)phenyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 26225065) has the molecular formula C25H28F3N3O3 and a molecular weight of 475.51 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-[[2-(trifluoromethyl)phenyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

• Compound Name: 1-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-[[2-(trifluoromethyl)phenyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
• PubChem CID: 26225065
• Molecular Formula: C25H28F3N3O3
• Molecular Weight: 475.51 g/mol
• Exact Mass: 475.21
• IUPAC Name: 1-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-[[2-(trifluoromethyl)phenyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
• SMILES: COc1ccc(CCN2C(=O)N(C)C(=O)C23CCN(Cc2ccccc2C(F)(F)F)CC3)cc1
• InChI: InChI=1S/C25H28F3N3O3/c1-29-22(32)24(31(23(29)33)14-11-18-7-9-20(34-2)10-8-18)12-15-30(16-13-24)17-19-5-3-4-6-21(19)25(26,27)28/h3-10H,11-17H2,1-2H3
• InChIKey: ZSBKCOGEIZNWJQ-UHFFFAOYSA-N
• XLogP: 4.19
• TPSA: 53.09 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.51
LogP ≤ 5	4.19
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 1-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-[[2-(trifluoromethyl)phenyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?

The IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-[[2-(trifluoromethyl)phenyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 26225065) is 1-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-[[2-(trifluoromethyl)phenyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.

What is the SMILES notation for 1-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-[[2-(trifluoromethyl)phenyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?

The canonical SMILES for 1-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-[[2-(trifluoromethyl)phenyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is COc1ccc(CCN2C(=O)N(C)C(=O)C23CCN(Cc2ccccc2C(F)(F)F)CC3)cc1.

What is the InChIKey of 1-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-[[2-(trifluoromethyl)phenyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?

The InChIKey is ZSBKCOGEIZNWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F3N3O3/c1-29-22(32)24(31(23(29)33)14-11-18-7-9-20(34-2)10-8-18)12-15-30(16-13-24)17-19-5-3-4-6-21(19)25(26,27)28/h3-10H,11-17H2,1-2H3.

What are the key properties of 1-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-[[2-(trifluoromethyl)phenyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?

1-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-[[2-(trifluoromethyl)phenyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 475.51 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-[[2-(trifluoromethyl)phenyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 26225065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).