3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]ethyl]butanamide

C17H27N3O7 — CID 59378709

About 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]ethyl]butanamide

3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]ethyl]butanamide (PubChem CID 59378709) has the molecular formula C17H27N3O7 and a molecular weight of 385.42 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]ethyl]butanamide.

Molecular Properties

• Compound Name: 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]ethyl]butanamide
• PubChem CID: 59378709
• Molecular Formula: C17H27N3O7
• Molecular Weight: 385.42 g/mol
• Exact Mass: 385.18
• IUPAC Name: 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]ethyl]butanamide
• SMILES: COCC(=O)NCCOCCOCCNC(=O)CC(C)N1C(=O)C=CC1=O
• InChI: InChI=1S/C17H27N3O7/c1-13(20-16(23)3-4-17(20)24)11-14(21)18-5-7-26-9-10-27-8-6-19-15(22)12-25-2/h3-4,13H,5-12H2,1-2H3,(H,18,21)(H,19,22)
• InChIKey: PVJVMWUBKADDOU-UHFFFAOYSA-N
• XLogP: -1.40
• TPSA: 123.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 14
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.42
LogP ≤ 5	-1.40
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-[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]ethyl]butanamide?

The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]ethyl]butanamide (CID 59378709) is 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]ethyl]butanamide.

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

The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]ethyl]butanamide is COCC(=O)NCCOCCOCCNC(=O)CC(C)N1C(=O)C=CC1=O.

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

The InChIKey is PVJVMWUBKADDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O7/c1-13(20-16(23)3-4-17(20)24)11-14(21)18-5-7-26-9-10-27-8-6-19-15(22)12-25-2/h3-4,13H,5-12H2,1-2H3,(H,18,21)(H,19,22).

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

3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]ethyl]butanamide has a molecular weight of 385.42 g/mol, XLogP of -1.40, 14 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-[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]ethyl]butanamide is sourced from PubChem (CID 59378709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).