methyl 2-[8-(2,2-dimethylpropyl)-1-[2-(4-methoxyphenyl)ethyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetate

C24H35N3O5 — CID 26139497

About methyl 2-[8-(2,2-dimethylpropyl)-1-[2-(4-methoxyphenyl)ethyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetate

methyl 2-[8-(2,2-dimethylpropyl)-1-[2-(4-methoxyphenyl)ethyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetate (PubChem CID 26139497) has the molecular formula C24H35N3O5 and a molecular weight of 445.56 g/mol. Its IUPAC name is methyl 2-[8-(2,2-dimethylpropyl)-1-[2-(4-methoxyphenyl)ethyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetate.

Molecular Properties

• Compound Name: methyl 2-[8-(2,2-dimethylpropyl)-1-[2-(4-methoxyphenyl)ethyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetate
• PubChem CID: 26139497
• Molecular Formula: C24H35N3O5
• Molecular Weight: 445.56 g/mol
• Exact Mass: 445.26
• IUPAC Name: methyl 2-[8-(2,2-dimethylpropyl)-1-[2-(4-methoxyphenyl)ethyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetate
• SMILES: COC(=O)CN1C(=O)N(CCc2ccc(OC)cc2)C2(CCN(CC(C)(C)C)CC2)C1=O
• InChI: InChI=1S/C24H35N3O5/c1-23(2,3)17-25-14-11-24(12-15-25)21(29)26(16-20(28)32-5)22(30)27(24)13-10-18-6-8-19(31-4)9-7-18/h6-9H,10-17H2,1-5H3
• InChIKey: HFYGFNFAINWSCG-UHFFFAOYSA-N
• XLogP: 2.56
• TPSA: 79.39 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.56
LogP ≤ 5	2.56
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 methyl 2-[8-(2,2-dimethylpropyl)-1-[2-(4-methoxyphenyl)ethyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetate?

The IUPAC name of methyl 2-[8-(2,2-dimethylpropyl)-1-[2-(4-methoxyphenyl)ethyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetate (CID 26139497) is methyl 2-[8-(2,2-dimethylpropyl)-1-[2-(4-methoxyphenyl)ethyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetate.

What is the SMILES notation for methyl 2-[8-(2,2-dimethylpropyl)-1-[2-(4-methoxyphenyl)ethyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetate?

The canonical SMILES for methyl 2-[8-(2,2-dimethylpropyl)-1-[2-(4-methoxyphenyl)ethyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetate is COC(=O)CN1C(=O)N(CCc2ccc(OC)cc2)C2(CCN(CC(C)(C)C)CC2)C1=O.

What is the InChIKey of methyl 2-[8-(2,2-dimethylpropyl)-1-[2-(4-methoxyphenyl)ethyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetate?

The InChIKey is HFYGFNFAINWSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O5/c1-23(2,3)17-25-14-11-24(12-15-25)21(29)26(16-20(28)32-5)22(30)27(24)13-10-18-6-8-19(31-4)9-7-18/h6-9H,10-17H2,1-5H3.

What are the key properties of methyl 2-[8-(2,2-dimethylpropyl)-1-[2-(4-methoxyphenyl)ethyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetate?

methyl 2-[8-(2,2-dimethylpropyl)-1-[2-(4-methoxyphenyl)ethyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetate has a molecular weight of 445.56 g/mol, XLogP of 2.56, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[8-(2,2-dimethylpropyl)-1-[2-(4-methoxyphenyl)ethyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetate is sourced from PubChem (CID 26139497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).