4-[2-[2-[2-[2-[2-[2-[4-[[3-(2,6-dioxopiperidin-3-yl)-4-oxo-1,2,3-benzotriazin-5-yl]amino]butoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzamide

C35H48N6O11 — CID 162767844

About 4-[2-[2-[2-[2-[2-[2-[4-[[3-(2,6-dioxopiperidin-3-yl)-4-oxo-1,2,3-benzotriazin-5-yl]amino]butoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzamide

4-[2-[2-[2-[2-[2-[2-[4-[[3-(2,6-dioxopiperidin-3-yl)-4-oxo-1,2,3-benzotriazin-5-yl]amino]butoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzamide (PubChem CID 162767844) has the molecular formula C35H48N6O11 and a molecular weight of 728.80 g/mol. Its IUPAC name is 4-[2-[2-[2-[2-[2-[2-[4-[[3-(2,6-dioxopiperidin-3-yl)-4-oxo-1,2,3-benzotriazin-5-yl]amino]butoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzamide.

Molecular Properties

• Compound Name: 4-[2-[2-[2-[2-[2-[2-[4-[[3-(2,6-dioxopiperidin-3-yl)-4-oxo-1,2,3-benzotriazin-5-yl]amino]butoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzamide
• PubChem CID: 162767844
• Molecular Formula: C35H48N6O11
• Molecular Weight: 728.80 g/mol
• Exact Mass: 728.34
• IUPAC Name: 4-[2-[2-[2-[2-[2-[2-[4-[[3-(2,6-dioxopiperidin-3-yl)-4-oxo-1,2,3-benzotriazin-5-yl]amino]butoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzamide
• SMILES: NC(=O)c1ccc(OCCOCCOCCOCCOCCOCCOCCCCNc2cccc3nnn(C4CCC(=O)NC4=O)c(=O)c23)cc1
• InChI: InChI=1S/C35H48N6O11/c36-33(43)26-6-8-27(9-7-26)52-25-24-51-23-22-50-21-20-49-19-18-48-17-16-47-15-14-46-13-2-1-12-37-28-4-3-5-29-32(28)35(45)41(40-39-29)30-10-11-31(42)38-34(30)44/h3-9,30,37H,1-2,10-25H2,(H2,36,43)(H,38,42,44)
• InChIKey: IAQXTYPOKDAUSP-UHFFFAOYSA-N
• XLogP: 1.24
• TPSA: 213.68 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 27
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	728.80
LogP ≤ 5	1.24
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

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 4-[2-[2-[2-[2-[2-[2-[4-[[3-(2,6-dioxopiperidin-3-yl)-4-oxo-1,2,3-benzotriazin-5-yl]amino]butoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzamide?

The IUPAC name of 4-[2-[2-[2-[2-[2-[2-[4-[[3-(2,6-dioxopiperidin-3-yl)-4-oxo-1,2,3-benzotriazin-5-yl]amino]butoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzamide (CID 162767844) is 4-[2-[2-[2-[2-[2-[2-[4-[[3-(2,6-dioxopiperidin-3-yl)-4-oxo-1,2,3-benzotriazin-5-yl]amino]butoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzamide.

What is the SMILES notation for 4-[2-[2-[2-[2-[2-[2-[4-[[3-(2,6-dioxopiperidin-3-yl)-4-oxo-1,2,3-benzotriazin-5-yl]amino]butoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzamide?

The canonical SMILES for 4-[2-[2-[2-[2-[2-[2-[4-[[3-(2,6-dioxopiperidin-3-yl)-4-oxo-1,2,3-benzotriazin-5-yl]amino]butoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzamide is NC(=O)c1ccc(OCCOCCOCCOCCOCCOCCOCCCCNc2cccc3nnn(C4CCC(=O)NC4=O)c(=O)c23)cc1.

What is the InChIKey of 4-[2-[2-[2-[2-[2-[2-[4-[[3-(2,6-dioxopiperidin-3-yl)-4-oxo-1,2,3-benzotriazin-5-yl]amino]butoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzamide?

The InChIKey is IAQXTYPOKDAUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H48N6O11/c36-33(43)26-6-8-27(9-7-26)52-25-24-51-23-22-50-21-20-49-19-18-48-17-16-47-15-14-46-13-2-1-12-37-28-4-3-5-29-32(28)35(45)41(40-39-29)30-10-11-31(42)38-34(30)44/h3-9,30,37H,1-2,10-25H2,(H2,36,43)(H,38,42,44).

What are the key properties of 4-[2-[2-[2-[2-[2-[2-[4-[[3-(2,6-dioxopiperidin-3-yl)-4-oxo-1,2,3-benzotriazin-5-yl]amino]butoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzamide?

4-[2-[2-[2-[2-[2-[2-[4-[[3-(2,6-dioxopiperidin-3-yl)-4-oxo-1,2,3-benzotriazin-5-yl]amino]butoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzamide has a molecular weight of 728.80 g/mol, XLogP of 1.24, 27 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[2-[2-[2-[2-[2-[4-[[3-(2,6-dioxopiperidin-3-yl)-4-oxo-1,2,3-benzotriazin-5-yl]amino]butoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzamide is sourced from PubChem (CID 162767844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).