3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethyl]propanamide

C17H27N3O5 — CID 58701502

About 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethyl]propanamide

3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethyl]propanamide (PubChem CID 58701502) has the molecular formula C17H27N3O5 and a molecular weight of 353.42 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethyl]propanamide.

Molecular Properties

• Compound Name: 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethyl]propanamide
• PubChem CID: 58701502
• Molecular Formula: C17H27N3O5
• Molecular Weight: 353.42 g/mol
• Exact Mass: 353.20
• IUPAC Name: 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethyl]propanamide
• SMILES: O=C(CCN1C(=O)C=CC1=O)NCCOCCOCCN1CCCC1
• InChI: InChI=1S/C17H27N3O5/c21-15(5-9-20-16(22)3-4-17(20)23)18-6-11-24-13-14-25-12-10-19-7-1-2-8-19/h3-4H,1-2,5-14H2,(H,18,21)
• InChIKey: HKUNUYXZKLVQJQ-UHFFFAOYSA-N
• XLogP: -0.45
• TPSA: 88.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	353.42
LogP ≤ 5	-0.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

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 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethyl]propanamide?

The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethyl]propanamide (CID 58701502) is 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethyl]propanamide.

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

The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethyl]propanamide is O=C(CCN1C(=O)C=CC1=O)NCCOCCOCCN1CCCC1.

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

The InChIKey is HKUNUYXZKLVQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O5/c21-15(5-9-20-16(22)3-4-17(20)23)18-6-11-24-13-14-25-12-10-19-7-1-2-8-19/h3-4H,1-2,5-14H2,(H,18,21).

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

3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethyl]propanamide has a molecular weight of 353.42 g/mol, XLogP of -0.45, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethyl]propanamide is sourced from PubChem (CID 58701502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).