ethyl 4-[3-[[3-(4-ethoxy-4-oxobutyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]butanoate

C23H36N4O8 — CID 22764389

About ethyl 4-[3-[[3-(4-ethoxy-4-oxobutyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]butanoate

ethyl 4-[3-[[3-(4-ethoxy-4-oxobutyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]butanoate (PubChem CID 22764389) has the molecular formula C23H36N4O8 and a molecular weight of 496.56 g/mol. Its IUPAC name is ethyl 4-[3-[[3-(4-ethoxy-4-oxobutyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]butanoate.

Molecular Properties

• Compound Name: ethyl 4-[3-[[3-(4-ethoxy-4-oxobutyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]butanoate
• PubChem CID: 22764389
• Molecular Formula: C23H36N4O8
• Molecular Weight: 496.56 g/mol
• Exact Mass: 496.25
• IUPAC Name: ethyl 4-[3-[[3-(4-ethoxy-4-oxobutyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]butanoate
• SMILES: CCOC(=O)CCCN1C(=O)N(CN2C(=O)N(CCCC(=O)OCC)C(=O)C2(C)C)C(C)(C)C1=O
• InChI: InChI=1S/C23H36N4O8/c1-7-34-16(28)11-9-13-24-18(30)22(3,4)26(20(24)32)15-27-21(33)25(19(31)23(27,5)6)14-10-12-17(29)35-8-2/h7-15H2,1-6H3
• InChIKey: QMYNPJJKPZLJGF-UHFFFAOYSA-N
• XLogP: 1.72
• TPSA: 133.84 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	496.56
LogP ≤ 5	1.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-[[3-(4-ethoxy-4-oxobutyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]butanoate?

The IUPAC name of ethyl 4-[3-[[3-(4-ethoxy-4-oxobutyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]butanoate (CID 22764389) is ethyl 4-[3-[[3-(4-ethoxy-4-oxobutyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]butanoate.

What is the SMILES notation for ethyl 4-[3-[[3-(4-ethoxy-4-oxobutyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]butanoate?

The canonical SMILES for ethyl 4-[3-[[3-(4-ethoxy-4-oxobutyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]butanoate is CCOC(=O)CCCN1C(=O)N(CN2C(=O)N(CCCC(=O)OCC)C(=O)C2(C)C)C(C)(C)C1=O.

What is the InChIKey of ethyl 4-[3-[[3-(4-ethoxy-4-oxobutyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]butanoate?

The InChIKey is QMYNPJJKPZLJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O8/c1-7-34-16(28)11-9-13-24-18(30)22(3,4)26(20(24)32)15-27-21(33)25(19(31)23(27,5)6)14-10-12-17(29)35-8-2/h7-15H2,1-6H3.

What are the key properties of ethyl 4-[3-[[3-(4-ethoxy-4-oxobutyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]butanoate?

ethyl 4-[3-[[3-(4-ethoxy-4-oxobutyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]butanoate has a molecular weight of 496.56 g/mol, XLogP of 1.72, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 4-[3-[[3-(4-ethoxy-4-oxobutyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]butanoate is sourced from PubChem (CID 22764389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).