N'-[3-methyl-4-[2-[4-(2-methylpropyl)-2,5-dioxo-1-[[2-oxo-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]acetyl]amino]pyrrolidin-3-yl]propyl]-2,5-dioxopyrrolidin-1-yl]-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxamide

C40H66N8O8 — CID 18716462

About N'-[3-methyl-4-[2-[4-(2-methylpropyl)-2,5-dioxo-1-[[2-oxo-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]acetyl]amino]pyrrolidin-3-yl]propyl]-2,5-dioxopyrrolidin-1-yl]-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxamide

N'-[3-methyl-4-[2-[4-(2-methylpropyl)-2,5-dioxo-1-[[2-oxo-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]acetyl]amino]pyrrolidin-3-yl]propyl]-2,5-dioxopyrrolidin-1-yl]-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxamide (PubChem CID 18716462) has the molecular formula C40H66N8O8 and a molecular weight of 787.02 g/mol. Its IUPAC name is N'-[3-methyl-4-[2-[4-(2-methylpropyl)-2,5-dioxo-1-[[2-oxo-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]acetyl]amino]pyrrolidin-3-yl]propyl]-2,5-dioxopyrrolidin-1-yl]-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxamide.

Molecular Properties

• Compound Name: N'-[3-methyl-4-[2-[4-(2-methylpropyl)-2,5-dioxo-1-[[2-oxo-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]acetyl]amino]pyrrolidin-3-yl]propyl]-2,5-dioxopyrrolidin-1-yl]-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxamide
• PubChem CID: 18716462
• Molecular Formula: C40H66N8O8
• Molecular Weight: 787.02 g/mol
• Exact Mass: 786.50
• IUPAC Name: N'-[3-methyl-4-[2-[4-(2-methylpropyl)-2,5-dioxo-1-[[2-oxo-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]acetyl]amino]pyrrolidin-3-yl]propyl]-2,5-dioxopyrrolidin-1-yl]-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxamide
• SMILES: CC(C)CC1C(=O)N(NC(=O)C(=O)NC2CC(C)(C)N(C)C(C)(C)C2)C(=O)C1C(C)CC1C(=O)N(NC(=O)C(=O)NC2CC(C)(C)N(C)C(C)(C)C2)C(=O)C1C
• InChI: InChI=1S/C40H66N8O8/c1-21(2)15-27-28(36(56)48(35(27)55)44-32(52)30(50)42-25-19-39(9,10)46(14)40(11,12)20-25)22(3)16-26-23(4)33(53)47(34(26)54)43-31(51)29(49)41-24-17-37(5,6)45(13)38(7,8)18-24/h21-28H,15-20H2,1-14H3,(H,41,49)(H,42,50)(H,43,51)(H,44,52)
• InChIKey: ZYFLWPYOSUTXCY-UHFFFAOYSA-N
• XLogP: 1.88
• TPSA: 197.64 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	787.02
LogP ≤ 5	1.88
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N'-[3-methyl-4-[2-[4-(2-methylpropyl)-2,5-dioxo-1-[[2-oxo-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]acetyl]amino]pyrrolidin-3-yl]propyl]-2,5-dioxopyrrolidin-1-yl]-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxamide?

The IUPAC name of N'-[3-methyl-4-[2-[4-(2-methylpropyl)-2,5-dioxo-1-[[2-oxo-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]acetyl]amino]pyrrolidin-3-yl]propyl]-2,5-dioxopyrrolidin-1-yl]-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxamide (CID 18716462) is N'-[3-methyl-4-[2-[4-(2-methylpropyl)-2,5-dioxo-1-[[2-oxo-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]acetyl]amino]pyrrolidin-3-yl]propyl]-2,5-dioxopyrrolidin-1-yl]-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxamide.

What is the SMILES notation for N'-[3-methyl-4-[2-[4-(2-methylpropyl)-2,5-dioxo-1-[[2-oxo-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]acetyl]amino]pyrrolidin-3-yl]propyl]-2,5-dioxopyrrolidin-1-yl]-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxamide?

The canonical SMILES for N'-[3-methyl-4-[2-[4-(2-methylpropyl)-2,5-dioxo-1-[[2-oxo-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]acetyl]amino]pyrrolidin-3-yl]propyl]-2,5-dioxopyrrolidin-1-yl]-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxamide is CC(C)CC1C(=O)N(NC(=O)C(=O)NC2CC(C)(C)N(C)C(C)(C)C2)C(=O)C1C(C)CC1C(=O)N(NC(=O)C(=O)NC2CC(C)(C)N(C)C(C)(C)C2)C(=O)C1C.

What is the InChIKey of N'-[3-methyl-4-[2-[4-(2-methylpropyl)-2,5-dioxo-1-[[2-oxo-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]acetyl]amino]pyrrolidin-3-yl]propyl]-2,5-dioxopyrrolidin-1-yl]-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxamide?

The InChIKey is ZYFLWPYOSUTXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H66N8O8/c1-21(2)15-27-28(36(56)48(35(27)55)44-32(52)30(50)42-25-19-39(9,10)46(14)40(11,12)20-25)22(3)16-26-23(4)33(53)47(34(26)54)43-31(51)29(49)41-24-17-37(5,6)45(13)38(7,8)18-24/h21-28H,15-20H2,1-14H3,(H,41,49)(H,42,50)(H,43,51)(H,44,52).

What are the key properties of N'-[3-methyl-4-[2-[4-(2-methylpropyl)-2,5-dioxo-1-[[2-oxo-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]acetyl]amino]pyrrolidin-3-yl]propyl]-2,5-dioxopyrrolidin-1-yl]-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxamide?

N'-[3-methyl-4-[2-[4-(2-methylpropyl)-2,5-dioxo-1-[[2-oxo-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]acetyl]amino]pyrrolidin-3-yl]propyl]-2,5-dioxopyrrolidin-1-yl]-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxamide has a molecular weight of 787.02 g/mol, XLogP of 1.88, 9 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[3-methyl-4-[2-[4-(2-methylpropyl)-2,5-dioxo-1-[[2-oxo-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]acetyl]amino]pyrrolidin-3-yl]propyl]-2,5-dioxopyrrolidin-1-yl]-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxamide is sourced from PubChem (CID 18716462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).