3-[2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanamide

C24H30ClN3O9 — CID 155292408

About 3-[2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanamide

3-[2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanamide (PubChem CID 155292408) has the molecular formula C24H30ClN3O9 and a molecular weight of 539.97 g/mol. Its IUPAC name is 3-[2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanamide.

Molecular Properties

• Compound Name: 3-[2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanamide
• PubChem CID: 155292408
• Molecular Formula: C24H30ClN3O9
• Molecular Weight: 539.97 g/mol
• Exact Mass: 539.17
• IUPAC Name: 3-[2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanamide
• SMILES: O=C1CCC(N2C(=O)c3cccc(NC(=O)CCOCCOCCOCCOCCCl)c3C2=O)C(=O)N1
• InChI: InChI=1S/C24H30ClN3O9/c25-7-9-35-11-13-37-15-14-36-12-10-34-8-6-20(30)26-17-3-1-2-16-21(17)24(33)28(23(16)32)18-4-5-19(29)27-22(18)31/h1-3,18H,4-15H2,(H,26,30)(H,27,29,31)
• InChIKey: QIGZYJNJRBOGPG-UHFFFAOYSA-N
• XLogP: 0.72
• TPSA: 149.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 16
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	539.97
LogP ≤ 5	0.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanamide?

The IUPAC name of 3-[2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanamide (CID 155292408) is 3-[2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanamide.

What is the SMILES notation for 3-[2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanamide?

The canonical SMILES for 3-[2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanamide is O=C1CCC(N2C(=O)c3cccc(NC(=O)CCOCCOCCOCCOCCCl)c3C2=O)C(=O)N1.

What is the InChIKey of 3-[2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanamide?

The InChIKey is QIGZYJNJRBOGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN3O9/c25-7-9-35-11-13-37-15-14-36-12-10-34-8-6-20(30)26-17-3-1-2-16-21(17)24(33)28(23(16)32)18-4-5-19(29)27-22(18)31/h1-3,18H,4-15H2,(H,26,30)(H,27,29,31).

What are the key properties of 3-[2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanamide?

3-[2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanamide has a molecular weight of 539.97 g/mol, XLogP of 0.72, 16 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanamide is sourced from PubChem (CID 155292408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).