8-[(3-ethoxy-4-methoxyphenyl)methyl]-1-(3-methylbutyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione

C25H39N3O4 — CID 26134314

About 8-[(3-ethoxy-4-methoxyphenyl)methyl]-1-(3-methylbutyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-[(3-ethoxy-4-methoxyphenyl)methyl]-1-(3-methylbutyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 26134314) has the molecular formula C25H39N3O4 and a molecular weight of 445.60 g/mol. Its IUPAC name is 8-[(3-ethoxy-4-methoxyphenyl)methyl]-1-(3-methylbutyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

• Compound Name: 8-[(3-ethoxy-4-methoxyphenyl)methyl]-1-(3-methylbutyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
• PubChem CID: 26134314
• Molecular Formula: C25H39N3O4
• Molecular Weight: 445.60 g/mol
• Exact Mass: 445.29
• IUPAC Name: 8-[(3-ethoxy-4-methoxyphenyl)methyl]-1-(3-methylbutyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
• SMILES: CCOc1cc(CN2CCC3(CC2)C(=O)N(C(C)C)C(=O)N3CCC(C)C)ccc1OC
• InChI: InChI=1S/C25H39N3O4/c1-7-32-22-16-20(8-9-21(22)31-6)17-26-14-11-25(12-15-26)23(29)28(19(4)5)24(30)27(25)13-10-18(2)3/h8-9,16,18-19H,7,10-15,17H2,1-6H3
• InChIKey: SWGOXJXQIDWVMN-UHFFFAOYSA-N
• XLogP: 4.15
• TPSA: 62.32 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.60
LogP ≤ 5	4.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-[(3-ethoxy-4-methoxyphenyl)methyl]-1-(3-methylbutyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione?

The IUPAC name of 8-[(3-ethoxy-4-methoxyphenyl)methyl]-1-(3-methylbutyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 26134314) is 8-[(3-ethoxy-4-methoxyphenyl)methyl]-1-(3-methylbutyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

What is the SMILES notation for 8-[(3-ethoxy-4-methoxyphenyl)methyl]-1-(3-methylbutyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione?

The canonical SMILES for 8-[(3-ethoxy-4-methoxyphenyl)methyl]-1-(3-methylbutyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione is CCOc1cc(CN2CCC3(CC2)C(=O)N(C(C)C)C(=O)N3CCC(C)C)ccc1OC.

What is the InChIKey of 8-[(3-ethoxy-4-methoxyphenyl)methyl]-1-(3-methylbutyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione?

The InChIKey is SWGOXJXQIDWVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39N3O4/c1-7-32-22-16-20(8-9-21(22)31-6)17-26-14-11-25(12-15-26)23(29)28(19(4)5)24(30)27(25)13-10-18(2)3/h8-9,16,18-19H,7,10-15,17H2,1-6H3.

What are the key properties of 8-[(3-ethoxy-4-methoxyphenyl)methyl]-1-(3-methylbutyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione?

8-[(3-ethoxy-4-methoxyphenyl)methyl]-1-(3-methylbutyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 445.60 g/mol, XLogP of 4.15, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[(3-ethoxy-4-methoxyphenyl)methyl]-1-(3-methylbutyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 26134314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).