8-[(2-fluoro-5-methoxyphenyl)methyl]-3-[(3-methoxyphenyl)methyl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;methoxyethane

C27H36FN3O5 — CID 143341335

About 8-[(2-fluoro-5-methoxyphenyl)methyl]-3-[(3-methoxyphenyl)methyl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;methoxyethane

8-[(2-fluoro-5-methoxyphenyl)methyl]-3-[(3-methoxyphenyl)methyl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;methoxyethane (PubChem CID 143341335) has the molecular formula C27H36FN3O5 and a molecular weight of 501.60 g/mol. Its IUPAC name is 8-[(2-fluoro-5-methoxyphenyl)methyl]-3-[(3-methoxyphenyl)methyl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;methoxyethane.

Molecular Properties

• Compound Name: 8-[(2-fluoro-5-methoxyphenyl)methyl]-3-[(3-methoxyphenyl)methyl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;methoxyethane
• PubChem CID: 143341335
• Molecular Formula: C27H36FN3O5
• Molecular Weight: 501.60 g/mol
• Exact Mass: 501.26
• IUPAC Name: 8-[(2-fluoro-5-methoxyphenyl)methyl]-3-[(3-methoxyphenyl)methyl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;methoxyethane
• SMILES: CCOC.COc1cccc(CN2C(=O)N(C)C3(CCN(Cc4cc(OC)ccc4F)CC3)C2=O)c1
• InChI: InChI=1S/C24H28FN3O4.C3H8O/c1-26-23(30)28(15-17-5-4-6-19(13-17)31-2)22(29)24(26)9-11-27(12-10-24)16-18-14-20(32-3)7-8-21(18)25;1-3-4-2/h4-8,13-14H,9-12,15-16H2,1-3H3;3H2,1-2H3
• InChIKey: QQDXZONNEDWEEB-UHFFFAOYSA-N
• XLogP: 3.92
• TPSA: 71.55 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.60
LogP ≤ 5	3.92
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-fluoro-5-methoxyphenyl)methyl]-3-[(3-methoxyphenyl)methyl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;methoxyethane?

The IUPAC name of 8-[(2-fluoro-5-methoxyphenyl)methyl]-3-[(3-methoxyphenyl)methyl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;methoxyethane (CID 143341335) is 8-[(2-fluoro-5-methoxyphenyl)methyl]-3-[(3-methoxyphenyl)methyl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;methoxyethane.

What is the SMILES notation for 8-[(2-fluoro-5-methoxyphenyl)methyl]-3-[(3-methoxyphenyl)methyl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;methoxyethane?

The canonical SMILES for 8-[(2-fluoro-5-methoxyphenyl)methyl]-3-[(3-methoxyphenyl)methyl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;methoxyethane is CCOC.COc1cccc(CN2C(=O)N(C)C3(CCN(Cc4cc(OC)ccc4F)CC3)C2=O)c1.

What is the InChIKey of 8-[(2-fluoro-5-methoxyphenyl)methyl]-3-[(3-methoxyphenyl)methyl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;methoxyethane?

The InChIKey is QQDXZONNEDWEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O4.C3H8O/c1-26-23(30)28(15-17-5-4-6-19(13-17)31-2)22(29)24(26)9-11-27(12-10-24)16-18-14-20(32-3)7-8-21(18)25;1-3-4-2/h4-8,13-14H,9-12,15-16H2,1-3H3;3H2,1-2H3.

What are the key properties of 8-[(2-fluoro-5-methoxyphenyl)methyl]-3-[(3-methoxyphenyl)methyl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;methoxyethane?

8-[(2-fluoro-5-methoxyphenyl)methyl]-3-[(3-methoxyphenyl)methyl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;methoxyethane has a molecular weight of 501.60 g/mol, XLogP of 3.92, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[(2-fluoro-5-methoxyphenyl)methyl]-3-[(3-methoxyphenyl)methyl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;methoxyethane is sourced from PubChem (CID 143341335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).