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

C16H25N3O6 — CID 135174898

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

3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethyl]propanamide (PubChem CID 135174898) has the molecular formula C16H25N3O6 and a molecular weight of 355.39 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethyl]propanamide.

Molecular Properties

• Compound Name: 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethyl]propanamide
• PubChem CID: 135174898
• Molecular Formula: C16H25N3O6
• Molecular Weight: 355.39 g/mol
• Exact Mass: 355.17
• IUPAC Name: 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethyl]propanamide
• SMILES: CCC(=O)NCCOCCOCCNC(=O)CCN1C(=O)C=CC1=O
• InChI: InChI=1S/C16H25N3O6/c1-2-13(20)17-6-9-24-11-12-25-10-7-18-14(21)5-8-19-15(22)3-4-16(19)23/h3-4H,2,5-12H2,1H3,(H,17,20)(H,18,21)
• InChIKey: RTZAYLMGPZWJOF-UHFFFAOYSA-N
• XLogP: -1.02
• TPSA: 114.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 13
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	355.39
LogP ≤ 5	-1.02
H-Bond Donors ≤ 5	2
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-(propanoylamino)ethoxy]ethoxy]ethyl]propanamide?

The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethyl]propanamide (CID 135174898) is 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethyl]propanamide.

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

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

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

The InChIKey is RTZAYLMGPZWJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O6/c1-2-13(20)17-6-9-24-11-12-25-10-7-18-14(21)5-8-19-15(22)3-4-16(19)23/h3-4H,2,5-12H2,1H3,(H,17,20)(H,18,21).

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

3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethyl]propanamide has a molecular weight of 355.39 g/mol, XLogP of -1.02, 13 rotatable bonds, 2 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-(propanoylamino)ethoxy]ethoxy]ethyl]propanamide is sourced from PubChem (CID 135174898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).