N-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide

C25H32N4O10 — CID 170060386

About N-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide

N-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide (PubChem CID 170060386) has the molecular formula C25H32N4O10 and a molecular weight of 548.55 g/mol. Its IUPAC name is N-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide.

Molecular Properties

• Compound Name: N-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide
• PubChem CID: 170060386
• Molecular Formula: C25H32N4O10
• Molecular Weight: 548.55 g/mol
• Exact Mass: 548.21
• IUPAC Name: N-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide
• SMILES: CC(=O)NCCOCCOCCOCCNC(=O)COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
• InChI: InChI=1S/C25H32N4O10/c1-16(30)26-7-9-36-11-13-38-14-12-37-10-8-27-21(32)15-39-19-4-2-3-17-22(19)25(35)29(24(17)34)18-5-6-20(31)28-23(18)33/h2-4,18H,5-15H2,1H3,(H,26,30)(H,27,32)(H,28,31,33)
• InChIKey: SYNZAZCPSIJCDA-UHFFFAOYSA-N
• XLogP: -1.23
• TPSA: 178.67 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 16
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	548.55
LogP ≤ 5	-1.23
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide (CID 170060386) is N-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide.

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

The canonical SMILES for N-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide is CC(=O)NCCOCCOCCOCCNC(=O)COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.

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

The InChIKey is SYNZAZCPSIJCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O10/c1-16(30)26-7-9-36-11-13-38-14-12-37-10-8-27-21(32)15-39-19-4-2-3-17-22(19)25(35)29(24(17)34)18-5-6-20(31)28-23(18)33/h2-4,18H,5-15H2,1H3,(H,26,30)(H,27,32)(H,28,31,33).

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

N-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide has a molecular weight of 548.55 g/mol, XLogP of -1.23, 16 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide is sourced from PubChem (CID 170060386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).