4-[5-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-2-oxopentoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

C26H33N5O10 — CID 167690307

About 4-[5-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-2-oxopentoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

4-[5-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-2-oxopentoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 167690307) has the molecular formula C26H33N5O10 and a molecular weight of 575.58 g/mol. Its IUPAC name is 4-[5-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-2-oxopentoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

• Compound Name: 4-[5-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-2-oxopentoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
• PubChem CID: 167690307
• Molecular Formula: C26H33N5O10
• Molecular Weight: 575.58 g/mol
• Exact Mass: 575.22
• IUPAC Name: 4-[5-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-2-oxopentoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
• SMILES: [N-]=[N+]=NCCOCCOCCOCCOCCCC(=O)COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
• InChI: InChI=1S/C26H33N5O10/c27-30-28-8-10-38-12-14-40-16-15-39-13-11-37-9-2-3-18(32)17-41-21-5-1-4-19-23(21)26(36)31(25(19)35)20-6-7-22(33)29-24(20)34/h1,4-5,20H,2-3,6-17H2,(H,29,33,34)
• InChIKey: WVIMEQHZFHMPLV-UHFFFAOYSA-N
• XLogP: 1.19
• TPSA: 195.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 20
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	575.58
LogP ≤ 5	1.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[5-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-2-oxopentoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The IUPAC name of 4-[5-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-2-oxopentoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 167690307) is 4-[5-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-2-oxopentoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

What is the SMILES notation for 4-[5-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-2-oxopentoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The canonical SMILES for 4-[5-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-2-oxopentoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is [N-]=[N+]=NCCOCCOCCOCCOCCCC(=O)COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.

What is the InChIKey of 4-[5-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-2-oxopentoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The InChIKey is WVIMEQHZFHMPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O10/c27-30-28-8-10-38-12-14-40-16-15-39-13-11-37-9-2-3-18(32)17-41-21-5-1-4-19-23(21)26(36)31(25(19)35)20-6-7-22(33)29-24(20)34/h1,4-5,20H,2-3,6-17H2,(H,29,33,34).

What are the key properties of 4-[5-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-2-oxopentoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

4-[5-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-2-oxopentoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 575.58 g/mol, XLogP of 1.19, 20 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-2-oxopentoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 167690307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).