3-[(3-methoxyphenyl)methyl]-8-[(3-methoxy-4-propoxyphenyl)methyl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

C27H35N3O5 — CID 143341331

About 3-[(3-methoxyphenyl)methyl]-8-[(3-methoxy-4-propoxyphenyl)methyl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

3-[(3-methoxyphenyl)methyl]-8-[(3-methoxy-4-propoxyphenyl)methyl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 143341331) has the molecular formula C27H35N3O5 and a molecular weight of 481.59 g/mol. Its IUPAC name is 3-[(3-methoxyphenyl)methyl]-8-[(3-methoxy-4-propoxyphenyl)methyl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

• Compound Name: 3-[(3-methoxyphenyl)methyl]-8-[(3-methoxy-4-propoxyphenyl)methyl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
• PubChem CID: 143341331
• Molecular Formula: C27H35N3O5
• Molecular Weight: 481.59 g/mol
• Exact Mass: 481.26
• IUPAC Name: 3-[(3-methoxyphenyl)methyl]-8-[(3-methoxy-4-propoxyphenyl)methyl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
• SMILES: CCCOc1ccc(CN2CCC3(CC2)C(=O)N(Cc2cccc(OC)c2)C(=O)N3C)cc1OC
• InChI: InChI=1S/C27H35N3O5/c1-5-15-35-23-10-9-21(17-24(23)34-4)18-29-13-11-27(12-14-29)25(31)30(26(32)28(27)2)19-20-7-6-8-22(16-20)33-3/h6-10,16-17H,5,11-15,18-19H2,1-4H3
• InChIKey: QOQJJXGIPVZQAJ-UHFFFAOYSA-N
• XLogP: 3.92
• TPSA: 71.55 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.59
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 3-[(3-methoxyphenyl)methyl]-8-[(3-methoxy-4-propoxyphenyl)methyl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?

The IUPAC name of 3-[(3-methoxyphenyl)methyl]-8-[(3-methoxy-4-propoxyphenyl)methyl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 143341331) is 3-[(3-methoxyphenyl)methyl]-8-[(3-methoxy-4-propoxyphenyl)methyl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

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

The canonical SMILES for 3-[(3-methoxyphenyl)methyl]-8-[(3-methoxy-4-propoxyphenyl)methyl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is CCCOc1ccc(CN2CCC3(CC2)C(=O)N(Cc2cccc(OC)c2)C(=O)N3C)cc1OC.

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

The InChIKey is QOQJJXGIPVZQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O5/c1-5-15-35-23-10-9-21(17-24(23)34-4)18-29-13-11-27(12-14-29)25(31)30(26(32)28(27)2)19-20-7-6-8-22(16-20)33-3/h6-10,16-17H,5,11-15,18-19H2,1-4H3.

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

3-[(3-methoxyphenyl)methyl]-8-[(3-methoxy-4-propoxyphenyl)methyl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 481.59 g/mol, XLogP of 3.92, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(3-methoxyphenyl)methyl]-8-[(3-methoxy-4-propoxyphenyl)methyl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 143341331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).