tris(7-acetyl-2-[4-(2-ethoxyethoxy)-3-oxobutyl]-N-ethyl-5,10-dioxoundecanamide);7-acetyl-2-[4-(2-ethoxyethoxy)-3-oxobutyl]-N-[2-(2-methoxyethoxy)ethyl]-5,10-dioxoundecanamide

C95H162N4O30 — CID 165048113

About tris(7-acetyl-2-[4-(2-ethoxyethoxy)-3-oxobutyl]-N-ethyl-5,10-dioxoundecanamide);7-acetyl-2-[4-(2-ethoxyethoxy)-3-oxobutyl]-N-[2-(2-methoxyethoxy)ethyl]-5,10-dioxoundecanamide

tris(7-acetyl-2-[4-(2-ethoxyethoxy)-3-oxobutyl]-N-ethyl-5,10-dioxoundecanamide);7-acetyl-2-[4-(2-ethoxyethoxy)-3-oxobutyl]-N-[2-(2-methoxyethoxy)ethyl]-5,10-dioxoundecanamide (PubChem CID 165048113) has the molecular formula C95H162N4O30 and a molecular weight of 1840.34 g/mol. Its IUPAC name is tris(7-acetyl-2-[4-(2-ethoxyethoxy)-3-oxobutyl]-N-ethyl-5,10-dioxoundecanamide);7-acetyl-2-[4-(2-ethoxyethoxy)-3-oxobutyl]-N-[2-(2-methoxyethoxy)ethyl]-5,10-dioxoundecanamide.

Molecular Properties

• Compound Name: tris(7-acetyl-2-[4-(2-ethoxyethoxy)-3-oxobutyl]-N-ethyl-5,10-dioxoundecanamide);7-acetyl-2-[4-(2-ethoxyethoxy)-3-oxobutyl]-N-[2-(2-methoxyethoxy)ethyl]-5,10-dioxoundecanamide
• PubChem CID: 165048113
• Molecular Formula: C95H162N4O30
• Molecular Weight: 1840.34 g/mol
• Exact Mass: 1839.13
• IUPAC Name: tris(7-acetyl-2-[4-(2-ethoxyethoxy)-3-oxobutyl]-N-ethyl-5,10-dioxoundecanamide);7-acetyl-2-[4-(2-ethoxyethoxy)-3-oxobutyl]-N-[2-(2-methoxyethoxy)ethyl]-5,10-dioxoundecanamide
• SMILES: CCNC(=O)C(CCC(=O)COCCOCC)CCC(=O)CC(CCC(C)=O)C(C)=O.CCNC(=O)C(CCC(=O)COCCOCC)CCC(=O)CC(CCC(C)=O)C(C)=O.CCNC(=O)C(CCC(=O)COCCOCC)CCC(=O)CC(CCC(C)=O)C(C)=O.CCOCCOCC(=O)CCC(CCC(=O)CC(CCC(C)=O)C(C)=O)C(=O)NCCOCCOC
• InChI: InChI=1S/C26H45NO9.3C23H39NO7/c1-5-34-16-17-36-19-25(31)11-9-22(26(32)27-12-13-35-15-14-33-4)8-10-24(30)18-23(21(3)29)7-6-20(2)28;3*1-5-24-23(29)19(10-12-22(28)16-31-14-13-30-6-2)9-11-21(27)15-20(18(4)26)8-7-17(3)25/h22-23H,5-19H2,1-4H3,(H,27,32);3*19-20H,5-16H2,1-4H3,(H,24,29)
• InChIKey: PFLFOTJYVSTKDW-UHFFFAOYSA-N
• XLogP: 9.46
• TPSA: 481.82 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 30
• Rotatable Bonds: 85
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1840.34
LogP ≤ 5	9.46
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tris(7-acetyl-2-[4-(2-ethoxyethoxy)-3-oxobutyl]-N-ethyl-5,10-dioxoundecanamide);7-acetyl-2-[4-(2-ethoxyethoxy)-3-oxobutyl]-N-[2-(2-methoxyethoxy)ethyl]-5,10-dioxoundecanamide?

The IUPAC name of tris(7-acetyl-2-[4-(2-ethoxyethoxy)-3-oxobutyl]-N-ethyl-5,10-dioxoundecanamide);7-acetyl-2-[4-(2-ethoxyethoxy)-3-oxobutyl]-N-[2-(2-methoxyethoxy)ethyl]-5,10-dioxoundecanamide (CID 165048113) is tris(7-acetyl-2-[4-(2-ethoxyethoxy)-3-oxobutyl]-N-ethyl-5,10-dioxoundecanamide);7-acetyl-2-[4-(2-ethoxyethoxy)-3-oxobutyl]-N-[2-(2-methoxyethoxy)ethyl]-5,10-dioxoundecanamide.

What is the SMILES notation for tris(7-acetyl-2-[4-(2-ethoxyethoxy)-3-oxobutyl]-N-ethyl-5,10-dioxoundecanamide);7-acetyl-2-[4-(2-ethoxyethoxy)-3-oxobutyl]-N-[2-(2-methoxyethoxy)ethyl]-5,10-dioxoundecanamide?

The canonical SMILES for tris(7-acetyl-2-[4-(2-ethoxyethoxy)-3-oxobutyl]-N-ethyl-5,10-dioxoundecanamide);7-acetyl-2-[4-(2-ethoxyethoxy)-3-oxobutyl]-N-[2-(2-methoxyethoxy)ethyl]-5,10-dioxoundecanamide is CCNC(=O)C(CCC(=O)COCCOCC)CCC(=O)CC(CCC(C)=O)C(C)=O.CCNC(=O)C(CCC(=O)COCCOCC)CCC(=O)CC(CCC(C)=O)C(C)=O.CCNC(=O)C(CCC(=O)COCCOCC)CCC(=O)CC(CCC(C)=O)C(C)=O.CCOCCOCC(=O)CCC(CCC(=O)CC(CCC(C)=O)C(C)=O)C(=O)NCCOCCOC.

What is the InChIKey of tris(7-acetyl-2-[4-(2-ethoxyethoxy)-3-oxobutyl]-N-ethyl-5,10-dioxoundecanamide);7-acetyl-2-[4-(2-ethoxyethoxy)-3-oxobutyl]-N-[2-(2-methoxyethoxy)ethyl]-5,10-dioxoundecanamide?

The InChIKey is PFLFOTJYVSTKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H45NO9.3C23H39NO7/c1-5-34-16-17-36-19-25(31)11-9-22(26(32)27-12-13-35-15-14-33-4)8-10-24(30)18-23(21(3)29)7-6-20(2)28;3*1-5-24-23(29)19(10-12-22(28)16-31-14-13-30-6-2)9-11-21(27)15-20(18(4)26)8-7-17(3)25/h22-23H,5-19H2,1-4H3,(H,27,32);3*19-20H,5-16H2,1-4H3,(H,24,29).

What are the key properties of tris(7-acetyl-2-[4-(2-ethoxyethoxy)-3-oxobutyl]-N-ethyl-5,10-dioxoundecanamide);7-acetyl-2-[4-(2-ethoxyethoxy)-3-oxobutyl]-N-[2-(2-methoxyethoxy)ethyl]-5,10-dioxoundecanamide?

tris(7-acetyl-2-[4-(2-ethoxyethoxy)-3-oxobutyl]-N-ethyl-5,10-dioxoundecanamide);7-acetyl-2-[4-(2-ethoxyethoxy)-3-oxobutyl]-N-[2-(2-methoxyethoxy)ethyl]-5,10-dioxoundecanamide has a molecular weight of 1840.34 g/mol, XLogP of 9.46, 85 rotatable bonds, 4 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for tris(7-acetyl-2-[4-(2-ethoxyethoxy)-3-oxobutyl]-N-ethyl-5,10-dioxoundecanamide);7-acetyl-2-[4-(2-ethoxyethoxy)-3-oxobutyl]-N-[2-(2-methoxyethoxy)ethyl]-5,10-dioxoundecanamide is sourced from PubChem (CID 165048113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).