8-[(3,5-dimethoxyphenyl)methyl]-3-[(3-methoxyphenyl)methyl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;ethane;1-methylpyrrole

C32H44N4O5 — CID 143341319

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

8-[(3,5-dimethoxyphenyl)methyl]-3-[(3-methoxyphenyl)methyl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;ethane;1-methylpyrrole (PubChem CID 143341319) has the molecular formula C32H44N4O5 and a molecular weight of 564.73 g/mol. Its IUPAC name is 8-[(3,5-dimethoxyphenyl)methyl]-3-[(3-methoxyphenyl)methyl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;ethane;1-methylpyrrole.

Molecular Properties

• Compound Name: 8-[(3,5-dimethoxyphenyl)methyl]-3-[(3-methoxyphenyl)methyl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;ethane;1-methylpyrrole
• PubChem CID: 143341319
• Molecular Formula: C32H44N4O5
• Molecular Weight: 564.73 g/mol
• Exact Mass: 564.33
• IUPAC Name: 8-[(3,5-dimethoxyphenyl)methyl]-3-[(3-methoxyphenyl)methyl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;ethane;1-methylpyrrole
• SMILES: CC.COc1cccc(CN2C(=O)N(C)C3(CCN(Cc4cc(OC)cc(OC)c4)CC3)C2=O)c1.Cn1cccc1
• InChI: InChI=1S/C25H31N3O5.C5H7N.C2H6/c1-26-24(30)28(17-18-6-5-7-20(12-18)31-2)23(29)25(26)8-10-27(11-9-25)16-19-13-21(32-3)15-22(14-19)33-4;1-6-4-2-3-5-6;1-2/h5-7,12-15H,8-11,16-17H2,1-4H3;2-5H,1H3;1-2H3
• InChIKey: WKQYSXGOPQMSGM-UHFFFAOYSA-N
• XLogP: 5.19
• TPSA: 76.48 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	564.73
LogP ≤ 5	5.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-[(3,5-dimethoxyphenyl)methyl]-3-[(3-methoxyphenyl)methyl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;ethane;1-methylpyrrole?

The IUPAC name of 8-[(3,5-dimethoxyphenyl)methyl]-3-[(3-methoxyphenyl)methyl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;ethane;1-methylpyrrole (CID 143341319) is 8-[(3,5-dimethoxyphenyl)methyl]-3-[(3-methoxyphenyl)methyl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;ethane;1-methylpyrrole.

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

The canonical SMILES for 8-[(3,5-dimethoxyphenyl)methyl]-3-[(3-methoxyphenyl)methyl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;ethane;1-methylpyrrole is CC.COc1cccc(CN2C(=O)N(C)C3(CCN(Cc4cc(OC)cc(OC)c4)CC3)C2=O)c1.Cn1cccc1.

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

The InChIKey is WKQYSXGOPQMSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O5.C5H7N.C2H6/c1-26-24(30)28(17-18-6-5-7-20(12-18)31-2)23(29)25(26)8-10-27(11-9-25)16-19-13-21(32-3)15-22(14-19)33-4;1-6-4-2-3-5-6;1-2/h5-7,12-15H,8-11,16-17H2,1-4H3;2-5H,1H3;1-2H3.

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

8-[(3,5-dimethoxyphenyl)methyl]-3-[(3-methoxyphenyl)methyl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;ethane;1-methylpyrrole has a molecular weight of 564.73 g/mol, XLogP of 5.19, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[(3,5-dimethoxyphenyl)methyl]-3-[(3-methoxyphenyl)methyl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;ethane;1-methylpyrrole is sourced from PubChem (CID 143341319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).