5-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]prop-1-ynyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

C22H25N3O7 — CID 165369330

About 5-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]prop-1-ynyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

5-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]prop-1-ynyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 165369330) has the molecular formula C22H25N3O7 and a molecular weight of 443.46 g/mol. Its IUPAC name is 5-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]prop-1-ynyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

• Compound Name: 5-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]prop-1-ynyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
• PubChem CID: 165369330
• Molecular Formula: C22H25N3O7
• Molecular Weight: 443.46 g/mol
• Exact Mass: 443.17
• IUPAC Name: 5-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]prop-1-ynyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
• SMILES: NCCOCCOCCOCC#Cc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O
• InChI: InChI=1S/C22H25N3O7/c23-7-9-31-11-13-32-12-10-30-8-1-2-15-3-4-16-17(14-15)22(29)25(21(16)28)18-5-6-19(26)24-20(18)27/h3-4,14,18H,5-13,23H2,(H,24,26,27)
• InChIKey: DAGZQZBDPNSIDW-UHFFFAOYSA-N
• XLogP: -0.55
• TPSA: 137.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.46
LogP ≤ 5	-0.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]prop-1-ynyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The IUPAC name of 5-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]prop-1-ynyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 165369330) is 5-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]prop-1-ynyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

What is the SMILES notation for 5-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]prop-1-ynyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The canonical SMILES for 5-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]prop-1-ynyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is NCCOCCOCCOCC#Cc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O.

What is the InChIKey of 5-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]prop-1-ynyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The InChIKey is DAGZQZBDPNSIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O7/c23-7-9-31-11-13-32-12-10-30-8-1-2-15-3-4-16-17(14-15)22(29)25(21(16)28)18-5-6-19(26)24-20(18)27/h3-4,14,18H,5-13,23H2,(H,24,26,27).

What are the key properties of 5-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]prop-1-ynyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

5-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]prop-1-ynyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 443.46 g/mol, XLogP of -0.55, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]prop-1-ynyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 165369330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).