5-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)benzo[de]isoquinoline-1,3-dione

C25H29N3O8 — CID 153385088

About 5-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)benzo[de]isoquinoline-1,3-dione

5-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)benzo[de]isoquinoline-1,3-dione (PubChem CID 153385088) has the molecular formula C25H29N3O8 and a molecular weight of 499.52 g/mol. Its IUPAC name is 5-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)benzo[de]isoquinoline-1,3-dione.

Molecular Properties

• Compound Name: 5-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)benzo[de]isoquinoline-1,3-dione
• PubChem CID: 153385088
• Molecular Formula: C25H29N3O8
• Molecular Weight: 499.52 g/mol
• Exact Mass: 499.20
• IUPAC Name: 5-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)benzo[de]isoquinoline-1,3-dione
• SMILES: NCCOCCOCCOCCOc1cc2c3c(cccc3c1)C(=O)N(C1CCC(=O)NC1=O)C2=O
• InChI: InChI=1S/C25H29N3O8/c26-6-7-33-8-9-34-10-11-35-12-13-36-17-14-16-2-1-3-18-22(16)19(15-17)25(32)28(24(18)31)20-4-5-21(29)27-23(20)30/h1-3,14-15,20H,4-13,26H2,(H,27,29,30)
• InChIKey: ZLFRYAMIUYQTLI-UHFFFAOYSA-N
• XLogP: 0.63
• TPSA: 146.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 13
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	499.52
LogP ≤ 5	0.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

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 5-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)benzo[de]isoquinoline-1,3-dione?

The IUPAC name of 5-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)benzo[de]isoquinoline-1,3-dione (CID 153385088) is 5-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)benzo[de]isoquinoline-1,3-dione.

What is the SMILES notation for 5-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)benzo[de]isoquinoline-1,3-dione?

The canonical SMILES for 5-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)benzo[de]isoquinoline-1,3-dione is NCCOCCOCCOCCOc1cc2c3c(cccc3c1)C(=O)N(C1CCC(=O)NC1=O)C2=O.

What is the InChIKey of 5-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)benzo[de]isoquinoline-1,3-dione?

The InChIKey is ZLFRYAMIUYQTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O8/c26-6-7-33-8-9-34-10-11-35-12-13-36-17-14-16-2-1-3-18-22(16)19(15-17)25(32)28(24(18)31)20-4-5-21(29)27-23(20)30/h1-3,14-15,20H,4-13,26H2,(H,27,29,30).

What are the key properties of 5-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)benzo[de]isoquinoline-1,3-dione?

5-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)benzo[de]isoquinoline-1,3-dione has a molecular weight of 499.52 g/mol, XLogP of 0.63, 13 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)benzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 153385088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).