3-(2,5-dioxopyrrol-1-yl)-N-[3-[2-[2-[3-(2,2,3,3-tetramethylbutylamino)propoxy]ethoxy]ethoxy]propyl]propanamide

C25H45N3O6 — CID 144554334

About 3-(2,5-dioxopyrrol-1-yl)-N-[3-[2-[2-[3-(2,2,3,3-tetramethylbutylamino)propoxy]ethoxy]ethoxy]propyl]propanamide

3-(2,5-dioxopyrrol-1-yl)-N-[3-[2-[2-[3-(2,2,3,3-tetramethylbutylamino)propoxy]ethoxy]ethoxy]propyl]propanamide (PubChem CID 144554334) has the molecular formula C25H45N3O6 and a molecular weight of 483.65 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)-N-[3-[2-[2-[3-(2,2,3,3-tetramethylbutylamino)propoxy]ethoxy]ethoxy]propyl]propanamide.

Molecular Properties

• Compound Name: 3-(2,5-dioxopyrrol-1-yl)-N-[3-[2-[2-[3-(2,2,3,3-tetramethylbutylamino)propoxy]ethoxy]ethoxy]propyl]propanamide
• PubChem CID: 144554334
• Molecular Formula: C25H45N3O6
• Molecular Weight: 483.65 g/mol
• Exact Mass: 483.33
• IUPAC Name: 3-(2,5-dioxopyrrol-1-yl)-N-[3-[2-[2-[3-(2,2,3,3-tetramethylbutylamino)propoxy]ethoxy]ethoxy]propyl]propanamide
• SMILES: CC(C)(C)C(C)(C)CNCCCOCCOCCOCCCNC(=O)CCN1C(=O)C=CC1=O
• InChI: InChI=1S/C25H45N3O6/c1-24(2,3)25(4,5)20-26-11-6-14-32-16-18-34-19-17-33-15-7-12-27-21(29)10-13-28-22(30)8-9-23(28)31/h8-9,26H,6-7,10-20H2,1-5H3,(H,27,29)
• InChIKey: APIRJLKKQXFSFG-UHFFFAOYSA-N
• XLogP: 1.91
• TPSA: 106.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 19
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.65
LogP ≤ 5	1.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

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-[3-[2-[2-[3-(2,2,3,3-tetramethylbutylamino)propoxy]ethoxy]ethoxy]propyl]propanamide?

The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[3-[2-[2-[3-(2,2,3,3-tetramethylbutylamino)propoxy]ethoxy]ethoxy]propyl]propanamide (CID 144554334) is 3-(2,5-dioxopyrrol-1-yl)-N-[3-[2-[2-[3-(2,2,3,3-tetramethylbutylamino)propoxy]ethoxy]ethoxy]propyl]propanamide.

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

The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)-N-[3-[2-[2-[3-(2,2,3,3-tetramethylbutylamino)propoxy]ethoxy]ethoxy]propyl]propanamide is CC(C)(C)C(C)(C)CNCCCOCCOCCOCCCNC(=O)CCN1C(=O)C=CC1=O.

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

The InChIKey is APIRJLKKQXFSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H45N3O6/c1-24(2,3)25(4,5)20-26-11-6-14-32-16-18-34-19-17-33-15-7-12-27-21(29)10-13-28-22(30)8-9-23(28)31/h8-9,26H,6-7,10-20H2,1-5H3,(H,27,29).

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

3-(2,5-dioxopyrrol-1-yl)-N-[3-[2-[2-[3-(2,2,3,3-tetramethylbutylamino)propoxy]ethoxy]ethoxy]propyl]propanamide has a molecular weight of 483.65 g/mol, XLogP of 1.91, 19 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,5-dioxopyrrol-1-yl)-N-[3-[2-[2-[3-(2,2,3,3-tetramethylbutylamino)propoxy]ethoxy]ethoxy]propyl]propanamide is sourced from PubChem (CID 144554334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).