5-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-N-(2,6-dioxopiperidin-3-yl)-2-formylbenzamide

C25H38N4O9 — CID 162486100

About 5-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-N-(2,6-dioxopiperidin-3-yl)-2-formylbenzamide

5-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-N-(2,6-dioxopiperidin-3-yl)-2-formylbenzamide (PubChem CID 162486100) has the molecular formula C25H38N4O9 and a molecular weight of 538.60 g/mol. Its IUPAC name is 5-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-N-(2,6-dioxopiperidin-3-yl)-2-formylbenzamide.

Molecular Properties

• Compound Name: 5-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-N-(2,6-dioxopiperidin-3-yl)-2-formylbenzamide
• PubChem CID: 162486100
• Molecular Formula: C25H38N4O9
• Molecular Weight: 538.60 g/mol
• Exact Mass: 538.26
• IUPAC Name: 5-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-N-(2,6-dioxopiperidin-3-yl)-2-formylbenzamide
• SMILES: NCCOCCOCCOCCOCCOCCNc1ccc(C=O)c(C(=O)NC2CCC(=O)NC2=O)c1
• InChI: InChI=1S/C25H38N4O9/c26-5-7-34-9-11-36-13-15-38-16-14-37-12-10-35-8-6-27-20-2-1-19(18-30)21(17-20)24(32)28-22-3-4-23(31)29-25(22)33/h1-2,17-18,22,27H,3-16,26H2,(H,28,32)(H,29,31,33)
• InChIKey: FFIMHXASTNZSIJ-UHFFFAOYSA-N
• XLogP: -0.51
• TPSA: 176.54 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 21
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	538.60
LogP ≤ 5	-0.51
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-N-(2,6-dioxopiperidin-3-yl)-2-formylbenzamide?

The IUPAC name of 5-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-N-(2,6-dioxopiperidin-3-yl)-2-formylbenzamide (CID 162486100) is 5-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-N-(2,6-dioxopiperidin-3-yl)-2-formylbenzamide.

What is the SMILES notation for 5-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-N-(2,6-dioxopiperidin-3-yl)-2-formylbenzamide?

The canonical SMILES for 5-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-N-(2,6-dioxopiperidin-3-yl)-2-formylbenzamide is NCCOCCOCCOCCOCCOCCNc1ccc(C=O)c(C(=O)NC2CCC(=O)NC2=O)c1.

What is the InChIKey of 5-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-N-(2,6-dioxopiperidin-3-yl)-2-formylbenzamide?

The InChIKey is FFIMHXASTNZSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N4O9/c26-5-7-34-9-11-36-13-15-38-16-14-37-12-10-35-8-6-27-20-2-1-19(18-30)21(17-20)24(32)28-22-3-4-23(31)29-25(22)33/h1-2,17-18,22,27H,3-16,26H2,(H,28,32)(H,29,31,33).

What are the key properties of 5-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-N-(2,6-dioxopiperidin-3-yl)-2-formylbenzamide?

5-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-N-(2,6-dioxopiperidin-3-yl)-2-formylbenzamide has a molecular weight of 538.60 g/mol, XLogP of -0.51, 21 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-N-(2,6-dioxopiperidin-3-yl)-2-formylbenzamide is sourced from PubChem (CID 162486100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).