formic acid;23-[2-[2-[7-(2-methoxyethoxy)-2-oxoheptoxy]ethoxy]ethylamino]-18,23-dioxotricosanoic acid

C38H71NO11 — CID 156738604

About formic acid;23-[2-[2-[7-(2-methoxyethoxy)-2-oxoheptoxy]ethoxy]ethylamino]-18,23-dioxotricosanoic acid

formic acid;23-[2-[2-[7-(2-methoxyethoxy)-2-oxoheptoxy]ethoxy]ethylamino]-18,23-dioxotricosanoic acid (PubChem CID 156738604) has the molecular formula C38H71NO11 and a molecular weight of 717.98 g/mol. Its IUPAC name is formic acid;23-[2-[2-[7-(2-methoxyethoxy)-2-oxoheptoxy]ethoxy]ethylamino]-18,23-dioxotricosanoic acid.

Molecular Properties

• Compound Name: formic acid;23-[2-[2-[7-(2-methoxyethoxy)-2-oxoheptoxy]ethoxy]ethylamino]-18,23-dioxotricosanoic acid
• PubChem CID: 156738604
• Molecular Formula: C38H71NO11
• Molecular Weight: 717.98 g/mol
• Exact Mass: 717.50
• IUPAC Name: formic acid;23-[2-[2-[7-(2-methoxyethoxy)-2-oxoheptoxy]ethoxy]ethylamino]-18,23-dioxotricosanoic acid
• SMILES: COCCOCCCCCC(=O)COCCOCCNC(=O)CCCCC(=O)CCCCCCCCCCCCCCCCC(=O)O.O=CO
• InChI: InChI=1S/C37H69NO9.CH2O2/c1-44-29-30-45-27-20-14-16-23-35(40)33-47-32-31-46-28-26-38-36(41)24-19-18-22-34(39)21-15-12-10-8-6-4-2-3-5-7-9-11-13-17-25-37(42)43;2-1-3/h2-33H2,1H3,(H,38,41)(H,42,43);1H,(H,2,3)
• InChIKey: RWEQHQNMZYPZLB-UHFFFAOYSA-N
• XLogP: 7.08
• TPSA: 174.76 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 39
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	717.98
LogP ≤ 5	7.08
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of formic acid;23-[2-[2-[7-(2-methoxyethoxy)-2-oxoheptoxy]ethoxy]ethylamino]-18,23-dioxotricosanoic acid?

The IUPAC name of formic acid;23-[2-[2-[7-(2-methoxyethoxy)-2-oxoheptoxy]ethoxy]ethylamino]-18,23-dioxotricosanoic acid (CID 156738604) is formic acid;23-[2-[2-[7-(2-methoxyethoxy)-2-oxoheptoxy]ethoxy]ethylamino]-18,23-dioxotricosanoic acid.

What is the SMILES notation for formic acid;23-[2-[2-[7-(2-methoxyethoxy)-2-oxoheptoxy]ethoxy]ethylamino]-18,23-dioxotricosanoic acid?

The canonical SMILES for formic acid;23-[2-[2-[7-(2-methoxyethoxy)-2-oxoheptoxy]ethoxy]ethylamino]-18,23-dioxotricosanoic acid is COCCOCCCCCC(=O)COCCOCCNC(=O)CCCCC(=O)CCCCCCCCCCCCCCCCC(=O)O.O=CO.

What is the InChIKey of formic acid;23-[2-[2-[7-(2-methoxyethoxy)-2-oxoheptoxy]ethoxy]ethylamino]-18,23-dioxotricosanoic acid?

The InChIKey is RWEQHQNMZYPZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H69NO9.CH2O2/c1-44-29-30-45-27-20-14-16-23-35(40)33-47-32-31-46-28-26-38-36(41)24-19-18-22-34(39)21-15-12-10-8-6-4-2-3-5-7-9-11-13-17-25-37(42)43;2-1-3/h2-33H2,1H3,(H,38,41)(H,42,43);1H,(H,2,3).

What are the key properties of formic acid;23-[2-[2-[7-(2-methoxyethoxy)-2-oxoheptoxy]ethoxy]ethylamino]-18,23-dioxotricosanoic acid?

formic acid;23-[2-[2-[7-(2-methoxyethoxy)-2-oxoheptoxy]ethoxy]ethylamino]-18,23-dioxotricosanoic acid has a molecular weight of 717.98 g/mol, XLogP of 7.08, 39 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for formic acid;23-[2-[2-[7-(2-methoxyethoxy)-2-oxoheptoxy]ethoxy]ethylamino]-18,23-dioxotricosanoic acid is sourced from PubChem (CID 156738604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).