3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[3-oxo-3-(2-oxoethylamino)propoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide

C20H31N3O9 — CID 166809263

About 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[3-oxo-3-(2-oxoethylamino)propoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide

3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[3-oxo-3-(2-oxoethylamino)propoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide (PubChem CID 166809263) has the molecular formula C20H31N3O9 and a molecular weight of 457.48 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[3-oxo-3-(2-oxoethylamino)propoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide.

Molecular Properties

• Compound Name: 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[3-oxo-3-(2-oxoethylamino)propoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
• PubChem CID: 166809263
• Molecular Formula: C20H31N3O9
• Molecular Weight: 457.48 g/mol
• Exact Mass: 457.21
• IUPAC Name: 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[3-oxo-3-(2-oxoethylamino)propoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
• SMILES: O=CCNC(=O)CCOCCOCCOCCOCCNC(=O)CCN1C(=O)C=CC1=O
• InChI: InChI=1S/C20H31N3O9/c24-8-5-21-18(26)4-9-29-11-13-31-15-16-32-14-12-30-10-6-22-17(25)3-7-23-19(27)1-2-20(23)28/h1-2,8H,3-7,9-16H2,(H,21,26)(H,22,25)
• InChIKey: CFKWVEMAMPUCFL-UHFFFAOYSA-N
• XLogP: -1.81
• TPSA: 149.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 20
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.48
LogP ≤ 5	-1.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

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 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[3-oxo-3-(2-oxoethylamino)propoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide?

The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[3-oxo-3-(2-oxoethylamino)propoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide (CID 166809263) is 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[3-oxo-3-(2-oxoethylamino)propoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide.

What is the SMILES notation for 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[3-oxo-3-(2-oxoethylamino)propoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide?

The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[3-oxo-3-(2-oxoethylamino)propoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide is O=CCNC(=O)CCOCCOCCOCCOCCNC(=O)CCN1C(=O)C=CC1=O.

What is the InChIKey of 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[3-oxo-3-(2-oxoethylamino)propoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide?

The InChIKey is CFKWVEMAMPUCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O9/c24-8-5-21-18(26)4-9-29-11-13-31-15-16-32-14-12-30-10-6-22-17(25)3-7-23-19(27)1-2-20(23)28/h1-2,8H,3-7,9-16H2,(H,21,26)(H,22,25).

What are the key properties of 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[3-oxo-3-(2-oxoethylamino)propoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide?

3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[3-oxo-3-(2-oxoethylamino)propoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide has a molecular weight of 457.48 g/mol, XLogP of -1.81, 20 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[3-oxo-3-(2-oxoethylamino)propoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide is sourced from PubChem (CID 166809263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).