2-(1-adamantyl)-N-[3-[2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxy]ethoxy]propyl]acetamide

C33H44N4O7 — CID 155514707

About 2-(1-adamantyl)-N-[3-[2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxy]ethoxy]propyl]acetamide

2-(1-adamantyl)-N-[3-[2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxy]ethoxy]propyl]acetamide (PubChem CID 155514707) has the molecular formula C33H44N4O7 and a molecular weight of 608.74 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[3-[2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxy]ethoxy]propyl]acetamide.

Molecular Properties

• Compound Name: 2-(1-adamantyl)-N-[3-[2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxy]ethoxy]propyl]acetamide
• PubChem CID: 155514707
• Molecular Formula: C33H44N4O7
• Molecular Weight: 608.74 g/mol
• Exact Mass: 608.32
• IUPAC Name: 2-(1-adamantyl)-N-[3-[2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxy]ethoxy]propyl]acetamide
• SMILES: O=C(CC12CC3CC(CC(C3)C1)C2)NCCCOCCOCCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
• InChI: InChI=1S/C33H44N4O7/c38-27-7-6-26(30(40)36-27)37-31(41)24-4-1-5-25(29(24)32(37)42)34-8-2-10-43-12-13-44-11-3-9-35-28(39)20-33-17-21-14-22(18-33)16-23(15-21)19-33/h1,4-5,21-23,26,34H,2-3,6-20H2,(H,35,39)(H,36,38,40)
• InChIKey: OCEADRRXDVSTSC-UHFFFAOYSA-N
• XLogP: 3.04
• TPSA: 143.14 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 15
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	608.74
LogP ≤ 5	3.04
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

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 2-(1-adamantyl)-N-[3-[2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxy]ethoxy]propyl]acetamide?

The IUPAC name of 2-(1-adamantyl)-N-[3-[2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxy]ethoxy]propyl]acetamide (CID 155514707) is 2-(1-adamantyl)-N-[3-[2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxy]ethoxy]propyl]acetamide.

What is the SMILES notation for 2-(1-adamantyl)-N-[3-[2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxy]ethoxy]propyl]acetamide?

The canonical SMILES for 2-(1-adamantyl)-N-[3-[2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxy]ethoxy]propyl]acetamide is O=C(CC12CC3CC(CC(C3)C1)C2)NCCCOCCOCCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.

What is the InChIKey of 2-(1-adamantyl)-N-[3-[2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxy]ethoxy]propyl]acetamide?

The InChIKey is OCEADRRXDVSTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H44N4O7/c38-27-7-6-26(30(40)36-27)37-31(41)24-4-1-5-25(29(24)32(37)42)34-8-2-10-43-12-13-44-11-3-9-35-28(39)20-33-17-21-14-22(18-33)16-23(15-21)19-33/h1,4-5,21-23,26,34H,2-3,6-20H2,(H,35,39)(H,36,38,40).

What are the key properties of 2-(1-adamantyl)-N-[3-[2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxy]ethoxy]propyl]acetamide?

2-(1-adamantyl)-N-[3-[2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxy]ethoxy]propyl]acetamide has a molecular weight of 608.74 g/mol, XLogP of 3.04, 15 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-adamantyl)-N-[3-[2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxy]ethoxy]propyl]acetamide is sourced from PubChem (CID 155514707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).