8-[(2,6-dimethoxyphenyl)methyl]-1-[2-(4-methoxyphenyl)ethyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione

C28H37N3O5 — CID 26133469

About 8-[(2,6-dimethoxyphenyl)methyl]-1-[2-(4-methoxyphenyl)ethyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-[(2,6-dimethoxyphenyl)methyl]-1-[2-(4-methoxyphenyl)ethyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 26133469) has the molecular formula C28H37N3O5 and a molecular weight of 495.62 g/mol. Its IUPAC name is 8-[(2,6-dimethoxyphenyl)methyl]-1-[2-(4-methoxyphenyl)ethyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

• Compound Name: 8-[(2,6-dimethoxyphenyl)methyl]-1-[2-(4-methoxyphenyl)ethyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
• PubChem CID: 26133469
• Molecular Formula: C28H37N3O5
• Molecular Weight: 495.62 g/mol
• Exact Mass: 495.27
• IUPAC Name: 8-[(2,6-dimethoxyphenyl)methyl]-1-[2-(4-methoxyphenyl)ethyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
• SMILES: COc1ccc(CCN2C(=O)N(C(C)C)C(=O)C23CCN(Cc2c(OC)cccc2OC)CC3)cc1
• InChI: InChI=1S/C28H37N3O5/c1-20(2)31-26(32)28(30(27(31)33)16-13-21-9-11-22(34-3)12-10-21)14-17-29(18-15-28)19-23-24(35-4)7-6-8-25(23)36-5/h6-12,20H,13-19H2,1-5H3
• InChIKey: WPLRZGACNLXSJZ-UHFFFAOYSA-N
• XLogP: 3.96
• TPSA: 71.55 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	495.62
LogP ≤ 5	3.96
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-[(2,6-dimethoxyphenyl)methyl]-1-[2-(4-methoxyphenyl)ethyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione?

The IUPAC name of 8-[(2,6-dimethoxyphenyl)methyl]-1-[2-(4-methoxyphenyl)ethyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 26133469) is 8-[(2,6-dimethoxyphenyl)methyl]-1-[2-(4-methoxyphenyl)ethyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

What is the SMILES notation for 8-[(2,6-dimethoxyphenyl)methyl]-1-[2-(4-methoxyphenyl)ethyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione?

The canonical SMILES for 8-[(2,6-dimethoxyphenyl)methyl]-1-[2-(4-methoxyphenyl)ethyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione is COc1ccc(CCN2C(=O)N(C(C)C)C(=O)C23CCN(Cc2c(OC)cccc2OC)CC3)cc1.

What is the InChIKey of 8-[(2,6-dimethoxyphenyl)methyl]-1-[2-(4-methoxyphenyl)ethyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione?

The InChIKey is WPLRZGACNLXSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N3O5/c1-20(2)31-26(32)28(30(27(31)33)16-13-21-9-11-22(34-3)12-10-21)14-17-29(18-15-28)19-23-24(35-4)7-6-8-25(23)36-5/h6-12,20H,13-19H2,1-5H3.

What are the key properties of 8-[(2,6-dimethoxyphenyl)methyl]-1-[2-(4-methoxyphenyl)ethyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione?

8-[(2,6-dimethoxyphenyl)methyl]-1-[2-(4-methoxyphenyl)ethyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 495.62 g/mol, XLogP of 3.96, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[(2,6-dimethoxyphenyl)methyl]-1-[2-(4-methoxyphenyl)ethyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 26133469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).