3-(cyclohexylmethyl)-1-propyl-8-[(2,4,6-trimethoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

C27H41N3O5 — CID 23109342

About 3-(cyclohexylmethyl)-1-propyl-8-[(2,4,6-trimethoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

3-(cyclohexylmethyl)-1-propyl-8-[(2,4,6-trimethoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 23109342) has the molecular formula C27H41N3O5 and a molecular weight of 487.64 g/mol. Its IUPAC name is 3-(cyclohexylmethyl)-1-propyl-8-[(2,4,6-trimethoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

• Compound Name: 3-(cyclohexylmethyl)-1-propyl-8-[(2,4,6-trimethoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
• PubChem CID: 23109342
• Molecular Formula: C27H41N3O5
• Molecular Weight: 487.64 g/mol
• Exact Mass: 487.30
• IUPAC Name: 3-(cyclohexylmethyl)-1-propyl-8-[(2,4,6-trimethoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
• SMILES: CCCN1C(=O)N(CC2CCCCC2)C(=O)C12CCN(Cc1c(OC)cc(OC)cc1OC)CC2
• InChI: InChI=1S/C27H41N3O5/c1-5-13-30-26(32)29(18-20-9-7-6-8-10-20)25(31)27(30)11-14-28(15-12-27)19-22-23(34-3)16-21(33-2)17-24(22)35-4/h16-17,20H,5-15,18-19H2,1-4H3
• InChIKey: ATPGFWSEBNQLLO-UHFFFAOYSA-N
• XLogP: 4.30
• 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	487.64
LogP ≤ 5	4.30
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-(cyclohexylmethyl)-1-propyl-8-[(2,4,6-trimethoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?

The IUPAC name of 3-(cyclohexylmethyl)-1-propyl-8-[(2,4,6-trimethoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 23109342) is 3-(cyclohexylmethyl)-1-propyl-8-[(2,4,6-trimethoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.

What is the SMILES notation for 3-(cyclohexylmethyl)-1-propyl-8-[(2,4,6-trimethoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?

The canonical SMILES for 3-(cyclohexylmethyl)-1-propyl-8-[(2,4,6-trimethoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is CCCN1C(=O)N(CC2CCCCC2)C(=O)C12CCN(Cc1c(OC)cc(OC)cc1OC)CC2.

What is the InChIKey of 3-(cyclohexylmethyl)-1-propyl-8-[(2,4,6-trimethoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?

The InChIKey is ATPGFWSEBNQLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H41N3O5/c1-5-13-30-26(32)29(18-20-9-7-6-8-10-20)25(31)27(30)11-14-28(15-12-27)19-22-23(34-3)16-21(33-2)17-24(22)35-4/h16-17,20H,5-15,18-19H2,1-4H3.

What are the key properties of 3-(cyclohexylmethyl)-1-propyl-8-[(2,4,6-trimethoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?

3-(cyclohexylmethyl)-1-propyl-8-[(2,4,6-trimethoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 487.64 g/mol, XLogP of 4.30, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(cyclohexylmethyl)-1-propyl-8-[(2,4,6-trimethoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 23109342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).