3-[5-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-1,3-dioxophenalen-2-yl]piperidine-2,6-dione

C24H26N2O7 — CID 155194213

About 3-[5-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-1,3-dioxophenalen-2-yl]piperidine-2,6-dione

3-[5-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-1,3-dioxophenalen-2-yl]piperidine-2,6-dione (PubChem CID 155194213) has the molecular formula C24H26N2O7 and a molecular weight of 454.48 g/mol. Its IUPAC name is 3-[5-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-1,3-dioxophenalen-2-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[5-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-1,3-dioxophenalen-2-yl]piperidine-2,6-dione
• PubChem CID: 155194213
• Molecular Formula: C24H26N2O7
• Molecular Weight: 454.48 g/mol
• Exact Mass: 454.17
• IUPAC Name: 3-[5-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-1,3-dioxophenalen-2-yl]piperidine-2,6-dione
• SMILES: NCCOCCOCCOc1cc2c3c(cccc3c1)C(=O)C(C1CCC(=O)NC1=O)C2=O
• InChI: InChI=1S/C24H26N2O7/c25-6-7-31-8-9-32-10-11-33-15-12-14-2-1-3-16-20(14)18(13-15)23(29)21(22(16)28)17-4-5-19(27)26-24(17)30/h1-3,12-13,17,21H,4-11,25H2,(H,26,27,30)
• InChIKey: QJTOGXPRUZORIJ-UHFFFAOYSA-N
• XLogP: 1.26
• TPSA: 134.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	454.48
LogP ≤ 5	1.26
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': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[5-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-1,3-dioxophenalen-2-yl]piperidine-2,6-dione?

The IUPAC name of 3-[5-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-1,3-dioxophenalen-2-yl]piperidine-2,6-dione (CID 155194213) is 3-[5-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-1,3-dioxophenalen-2-yl]piperidine-2,6-dione.

What is the SMILES notation for 3-[5-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-1,3-dioxophenalen-2-yl]piperidine-2,6-dione?

The canonical SMILES for 3-[5-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-1,3-dioxophenalen-2-yl]piperidine-2,6-dione is NCCOCCOCCOc1cc2c3c(cccc3c1)C(=O)C(C1CCC(=O)NC1=O)C2=O.

What is the InChIKey of 3-[5-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-1,3-dioxophenalen-2-yl]piperidine-2,6-dione?

The InChIKey is QJTOGXPRUZORIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O7/c25-6-7-31-8-9-32-10-11-33-15-12-14-2-1-3-16-20(14)18(13-15)23(29)21(22(16)28)17-4-5-19(27)26-24(17)30/h1-3,12-13,17,21H,4-11,25H2,(H,26,27,30).

What are the key properties of 3-[5-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-1,3-dioxophenalen-2-yl]piperidine-2,6-dione?

3-[5-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-1,3-dioxophenalen-2-yl]piperidine-2,6-dione has a molecular weight of 454.48 g/mol, XLogP of 1.26, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-1,3-dioxophenalen-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 155194213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).