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

C25H26N4O8 — CID 162704230

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

N-[2-[2-(4-aminophenoxy)ethoxy]ethyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide (PubChem CID 162704230) has the molecular formula C25H26N4O8 and a molecular weight of 510.50 g/mol. Its IUPAC name is N-[2-[2-(4-aminophenoxy)ethoxy]ethyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide.

Molecular Properties

• Compound Name: N-[2-[2-(4-aminophenoxy)ethoxy]ethyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide
• PubChem CID: 162704230
• Molecular Formula: C25H26N4O8
• Molecular Weight: 510.50 g/mol
• Exact Mass: 510.18
• IUPAC Name: N-[2-[2-(4-aminophenoxy)ethoxy]ethyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide
• SMILES: Nc1ccc(OCCOCCNC(=O)COc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)cc1
• InChI: InChI=1S/C25H26N4O8/c26-15-4-6-16(7-5-15)36-13-12-35-11-10-27-21(31)14-37-19-3-1-2-17-22(19)25(34)29(24(17)33)18-8-9-20(30)28-23(18)32/h1-7,18H,8-14,26H2,(H,27,31)(H,28,30,32)
• InChIKey: YDOWSCLLUJQHRZ-UHFFFAOYSA-N
• XLogP: 0.26
• TPSA: 166.36 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.50
LogP ≤ 5	0.26
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of N-[2-[2-(4-aminophenoxy)ethoxy]ethyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide (CID 162704230) is N-[2-[2-(4-aminophenoxy)ethoxy]ethyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide.

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

The canonical SMILES for N-[2-[2-(4-aminophenoxy)ethoxy]ethyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide is Nc1ccc(OCCOCCNC(=O)COc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)cc1.

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

The InChIKey is YDOWSCLLUJQHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O8/c26-15-4-6-16(7-5-15)36-13-12-35-11-10-27-21(31)14-37-19-3-1-2-17-22(19)25(34)29(24(17)33)18-8-9-20(30)28-23(18)32/h1-7,18H,8-14,26H2,(H,27,31)(H,28,30,32).

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

N-[2-[2-(4-aminophenoxy)ethoxy]ethyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide has a molecular weight of 510.50 g/mol, XLogP of 0.26, 11 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-(4-aminophenoxy)ethoxy]ethyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide is sourced from PubChem (CID 162704230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).