N'-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethylamino]-2-oxoethyl]-N'-[2-[2-(2-methoxyethoxy)ethylamino]-2-oxoethyl]-N-(2-methoxyethyl)butanediamide

C26H43N5O11 — CID 71096565

About N'-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethylamino]-2-oxoethyl]-N'-[2-[2-(2-methoxyethoxy)ethylamino]-2-oxoethyl]-N-(2-methoxyethyl)butanediamide

N'-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethylamino]-2-oxoethyl]-N'-[2-[2-(2-methoxyethoxy)ethylamino]-2-oxoethyl]-N-(2-methoxyethyl)butanediamide (PubChem CID 71096565) has the molecular formula C26H43N5O11 and a molecular weight of 601.65 g/mol. Its IUPAC name is N'-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethylamino]-2-oxoethyl]-N'-[2-[2-(2-methoxyethoxy)ethylamino]-2-oxoethyl]-N-(2-methoxyethyl)butanediamide.

Molecular Properties

• Compound Name: N'-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethylamino]-2-oxoethyl]-N'-[2-[2-(2-methoxyethoxy)ethylamino]-2-oxoethyl]-N-(2-methoxyethyl)butanediamide
• PubChem CID: 71096565
• Molecular Formula: C26H43N5O11
• Molecular Weight: 601.65 g/mol
• Exact Mass: 601.30
• IUPAC Name: N'-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethylamino]-2-oxoethyl]-N'-[2-[2-(2-methoxyethoxy)ethylamino]-2-oxoethyl]-N-(2-methoxyethyl)butanediamide
• SMILES: COCCNC(=O)CCC(=O)N(CC(=O)NCCOCCOC)CC(=O)NCCOCCOCCN1C(=O)C=CC1=O
• InChI: InChI=1S/C26H43N5O11/c1-38-11-7-27-21(32)3-4-24(35)30(19-22(33)28-8-12-40-16-15-39-2)20-23(34)29-9-13-41-17-18-42-14-10-31-25(36)5-6-26(31)37/h5-6H,3-4,7-20H2,1-2H3,(H,27,32)(H,28,33)(H,29,34)
• InChIKey: FGFHXZZKFRWACJ-UHFFFAOYSA-N
• XLogP: -2.79
• TPSA: 191.14 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 25
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	601.65
LogP ≤ 5	-2.79
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

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 N'-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethylamino]-2-oxoethyl]-N'-[2-[2-(2-methoxyethoxy)ethylamino]-2-oxoethyl]-N-(2-methoxyethyl)butanediamide?

The IUPAC name of N'-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethylamino]-2-oxoethyl]-N'-[2-[2-(2-methoxyethoxy)ethylamino]-2-oxoethyl]-N-(2-methoxyethyl)butanediamide (CID 71096565) is N'-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethylamino]-2-oxoethyl]-N'-[2-[2-(2-methoxyethoxy)ethylamino]-2-oxoethyl]-N-(2-methoxyethyl)butanediamide.

What is the SMILES notation for N'-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethylamino]-2-oxoethyl]-N'-[2-[2-(2-methoxyethoxy)ethylamino]-2-oxoethyl]-N-(2-methoxyethyl)butanediamide?

The canonical SMILES for N'-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethylamino]-2-oxoethyl]-N'-[2-[2-(2-methoxyethoxy)ethylamino]-2-oxoethyl]-N-(2-methoxyethyl)butanediamide is COCCNC(=O)CCC(=O)N(CC(=O)NCCOCCOC)CC(=O)NCCOCCOCCN1C(=O)C=CC1=O.

What is the InChIKey of N'-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethylamino]-2-oxoethyl]-N'-[2-[2-(2-methoxyethoxy)ethylamino]-2-oxoethyl]-N-(2-methoxyethyl)butanediamide?

The InChIKey is FGFHXZZKFRWACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H43N5O11/c1-38-11-7-27-21(32)3-4-24(35)30(19-22(33)28-8-12-40-16-15-39-2)20-23(34)29-9-13-41-17-18-42-14-10-31-25(36)5-6-26(31)37/h5-6H,3-4,7-20H2,1-2H3,(H,27,32)(H,28,33)(H,29,34).

What are the key properties of N'-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethylamino]-2-oxoethyl]-N'-[2-[2-(2-methoxyethoxy)ethylamino]-2-oxoethyl]-N-(2-methoxyethyl)butanediamide?

N'-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethylamino]-2-oxoethyl]-N'-[2-[2-(2-methoxyethoxy)ethylamino]-2-oxoethyl]-N-(2-methoxyethyl)butanediamide has a molecular weight of 601.65 g/mol, XLogP of -2.79, 25 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethylamino]-2-oxoethyl]-N'-[2-[2-(2-methoxyethoxy)ethylamino]-2-oxoethyl]-N-(2-methoxyethyl)butanediamide is sourced from PubChem (CID 71096565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).