3-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[3-[3-methyl-3-[[methyl-(4-methyl-2-propan-2-ylpentoxy)amino]methoxy]butoxy]propyl]propanamide

C27H51N3O6 — CID 166661172

About 3-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[3-[3-methyl-3-[[methyl-(4-methyl-2-propan-2-ylpentoxy)amino]methoxy]butoxy]propyl]propanamide

3-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[3-[3-methyl-3-[[methyl-(4-methyl-2-propan-2-ylpentoxy)amino]methoxy]butoxy]propyl]propanamide (PubChem CID 166661172) has the molecular formula C27H51N3O6 and a molecular weight of 513.72 g/mol. Its IUPAC name is 3-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[3-[3-methyl-3-[[methyl-(4-methyl-2-propan-2-ylpentoxy)amino]methoxy]butoxy]propyl]propanamide.

Molecular Properties

• Compound Name: 3-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[3-[3-methyl-3-[[methyl-(4-methyl-2-propan-2-ylpentoxy)amino]methoxy]butoxy]propyl]propanamide
• PubChem CID: 166661172
• Molecular Formula: C27H51N3O6
• Molecular Weight: 513.72 g/mol
• Exact Mass: 513.38
• IUPAC Name: 3-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[3-[3-methyl-3-[[methyl-(4-methyl-2-propan-2-ylpentoxy)amino]methoxy]butoxy]propyl]propanamide
• SMILES: CC(C)CC(CON(C)COC(C)(C)CCOCCCNC(=O)CCN1C(=O)CC(C)C1=O)C(C)C
• InChI: InChI=1S/C27H51N3O6/c1-20(2)16-23(21(3)4)18-36-29(8)19-35-27(6,7)11-15-34-14-9-12-28-24(31)10-13-30-25(32)17-22(5)26(30)33/h20-23H,9-19H2,1-8H3,(H,28,31)
• InChIKey: RTONDPNJXVNLAY-UHFFFAOYSA-N
• XLogP: 3.62
• TPSA: 97.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 19
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	513.72
LogP ≤ 5	3.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[3-[3-methyl-3-[[methyl-(4-methyl-2-propan-2-ylpentoxy)amino]methoxy]butoxy]propyl]propanamide?

The IUPAC name of 3-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[3-[3-methyl-3-[[methyl-(4-methyl-2-propan-2-ylpentoxy)amino]methoxy]butoxy]propyl]propanamide (CID 166661172) is 3-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[3-[3-methyl-3-[[methyl-(4-methyl-2-propan-2-ylpentoxy)amino]methoxy]butoxy]propyl]propanamide.

What is the SMILES notation for 3-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[3-[3-methyl-3-[[methyl-(4-methyl-2-propan-2-ylpentoxy)amino]methoxy]butoxy]propyl]propanamide?

The canonical SMILES for 3-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[3-[3-methyl-3-[[methyl-(4-methyl-2-propan-2-ylpentoxy)amino]methoxy]butoxy]propyl]propanamide is CC(C)CC(CON(C)COC(C)(C)CCOCCCNC(=O)CCN1C(=O)CC(C)C1=O)C(C)C.

What is the InChIKey of 3-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[3-[3-methyl-3-[[methyl-(4-methyl-2-propan-2-ylpentoxy)amino]methoxy]butoxy]propyl]propanamide?

The InChIKey is RTONDPNJXVNLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H51N3O6/c1-20(2)16-23(21(3)4)18-36-29(8)19-35-27(6,7)11-15-34-14-9-12-28-24(31)10-13-30-25(32)17-22(5)26(30)33/h20-23H,9-19H2,1-8H3,(H,28,31).

What are the key properties of 3-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[3-[3-methyl-3-[[methyl-(4-methyl-2-propan-2-ylpentoxy)amino]methoxy]butoxy]propyl]propanamide?

3-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[3-[3-methyl-3-[[methyl-(4-methyl-2-propan-2-ylpentoxy)amino]methoxy]butoxy]propyl]propanamide has a molecular weight of 513.72 g/mol, XLogP of 3.62, 19 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[3-[3-methyl-3-[[methyl-(4-methyl-2-propan-2-ylpentoxy)amino]methoxy]butoxy]propyl]propanamide is sourced from PubChem (CID 166661172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).