benzamide;N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-[3-[5-(3-methylphenoxy)pentoxy]propoxy]acetamide;ethane

C39H50N4O8 — CID 168969877

About benzamide;N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-[3-[5-(3-methylphenoxy)pentoxy]propoxy]acetamide;ethane

benzamide;N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-[3-[5-(3-methylphenoxy)pentoxy]propoxy]acetamide;ethane (PubChem CID 168969877) has the molecular formula C39H50N4O8 and a molecular weight of 702.85 g/mol. Its IUPAC name is benzamide;N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-[3-[5-(3-methylphenoxy)pentoxy]propoxy]acetamide;ethane.

Molecular Properties

• Compound Name: benzamide;N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-[3-[5-(3-methylphenoxy)pentoxy]propoxy]acetamide;ethane
• PubChem CID: 168969877
• Molecular Formula: C39H50N4O8
• Molecular Weight: 702.85 g/mol
• Exact Mass: 702.36
• IUPAC Name: benzamide;N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-[3-[5-(3-methylphenoxy)pentoxy]propoxy]acetamide;ethane
• SMILES: CC.Cc1cccc(OCCCCCOCCCOCC(=O)Nc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)c1.NC(=O)c1ccccc1
• InChI: InChI=1S/C30H37N3O7.C7H7NO.C2H6/c1-21-8-5-9-22(18-21)40-17-4-2-3-14-38-15-7-16-39-20-28(35)31-25-11-6-10-23-24(25)19-33(30(23)37)26-12-13-27(34)32-29(26)36;8-7(9)6-4-2-1-3-5-6;1-2/h5-6,8-11,18,26H,2-4,7,12-17,19-20H2,1H3,(H,31,35)(H,32,34,36);1-5H,(H2,8,9);1-2H3
• InChIKey: QHVIWZVMIFWLNH-UHFFFAOYSA-N
• XLogP: 5.18
• TPSA: 166.36 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 16
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	702.85
LogP ≤ 5	5.18
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 benzamide;N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-[3-[5-(3-methylphenoxy)pentoxy]propoxy]acetamide;ethane?

The IUPAC name of benzamide;N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-[3-[5-(3-methylphenoxy)pentoxy]propoxy]acetamide;ethane (CID 168969877) is benzamide;N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-[3-[5-(3-methylphenoxy)pentoxy]propoxy]acetamide;ethane.

What is the SMILES notation for benzamide;N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-[3-[5-(3-methylphenoxy)pentoxy]propoxy]acetamide;ethane?

The canonical SMILES for benzamide;N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-[3-[5-(3-methylphenoxy)pentoxy]propoxy]acetamide;ethane is CC.Cc1cccc(OCCCCCOCCCOCC(=O)Nc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)c1.NC(=O)c1ccccc1.

What is the InChIKey of benzamide;N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-[3-[5-(3-methylphenoxy)pentoxy]propoxy]acetamide;ethane?

The InChIKey is QHVIWZVMIFWLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N3O7.C7H7NO.C2H6/c1-21-8-5-9-22(18-21)40-17-4-2-3-14-38-15-7-16-39-20-28(35)31-25-11-6-10-23-24(25)19-33(30(23)37)26-12-13-27(34)32-29(26)36;8-7(9)6-4-2-1-3-5-6;1-2/h5-6,8-11,18,26H,2-4,7,12-17,19-20H2,1H3,(H,31,35)(H,32,34,36);1-5H,(H2,8,9);1-2H3.

What are the key properties of benzamide;N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-[3-[5-(3-methylphenoxy)pentoxy]propoxy]acetamide;ethane?

benzamide;N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-[3-[5-(3-methylphenoxy)pentoxy]propoxy]acetamide;ethane has a molecular weight of 702.85 g/mol, XLogP of 5.18, 16 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for benzamide;N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-[3-[5-(3-methylphenoxy)pentoxy]propoxy]acetamide;ethane is sourced from PubChem (CID 168969877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).