(2,5-dioxopyrrolidin-1-yl) [5-[2-(4-hydroxybutoxy)ethylcarbamoyl]-2-[4-[2-(3-methoxypropoxy)ethylamino]-4-oxobutyl]-9H-fluoren-9-yl]methyl carbonate

C36H47N3O11 — CID 58856633

About (2,5-dioxopyrrolidin-1-yl) [5-[2-(4-hydroxybutoxy)ethylcarbamoyl]-2-[4-[2-(3-methoxypropoxy)ethylamino]-4-oxobutyl]-9H-fluoren-9-yl]methyl carbonate

(2,5-dioxopyrrolidin-1-yl) [5-[2-(4-hydroxybutoxy)ethylcarbamoyl]-2-[4-[2-(3-methoxypropoxy)ethylamino]-4-oxobutyl]-9H-fluoren-9-yl]methyl carbonate (PubChem CID 58856633) has the molecular formula C36H47N3O11 and a molecular weight of 697.78 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) [5-[2-(4-hydroxybutoxy)ethylcarbamoyl]-2-[4-[2-(3-methoxypropoxy)ethylamino]-4-oxobutyl]-9H-fluoren-9-yl]methyl carbonate.

Molecular Properties

• Compound Name: (2,5-dioxopyrrolidin-1-yl) [5-[2-(4-hydroxybutoxy)ethylcarbamoyl]-2-[4-[2-(3-methoxypropoxy)ethylamino]-4-oxobutyl]-9H-fluoren-9-yl]methyl carbonate
• PubChem CID: 58856633
• Molecular Formula: C36H47N3O11
• Molecular Weight: 697.78 g/mol
• Exact Mass: 697.32
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) [5-[2-(4-hydroxybutoxy)ethylcarbamoyl]-2-[4-[2-(3-methoxypropoxy)ethylamino]-4-oxobutyl]-9H-fluoren-9-yl]methyl carbonate
• SMILES: COCCCOCCNC(=O)CCCc1ccc2c(c1)C(COC(=O)ON1C(=O)CCC1=O)c1cccc(C(=O)NCCOCCCCO)c1-2
• InChI: InChI=1S/C36H47N3O11/c1-46-18-6-20-48-21-15-37-31(41)10-4-7-25-11-12-27-29(23-25)30(24-49-36(45)50-39-32(42)13-14-33(39)43)26-8-5-9-28(34(26)27)35(44)38-16-22-47-19-3-2-17-40/h5,8-9,11-12,23,30,40H,2-4,6-7,10,13-22,24H2,1H3,(H,37,41)(H,38,44)
• InChIKey: VLWQTWFNHDMKFQ-UHFFFAOYSA-N
• XLogP: 3.03
• TPSA: 179.03 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 22
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	697.78
LogP ≤ 5	3.03
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

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 (2,5-dioxopyrrolidin-1-yl) [5-[2-(4-hydroxybutoxy)ethylcarbamoyl]-2-[4-[2-(3-methoxypropoxy)ethylamino]-4-oxobutyl]-9H-fluoren-9-yl]methyl carbonate?

The IUPAC name of (2,5-dioxopyrrolidin-1-yl) [5-[2-(4-hydroxybutoxy)ethylcarbamoyl]-2-[4-[2-(3-methoxypropoxy)ethylamino]-4-oxobutyl]-9H-fluoren-9-yl]methyl carbonate (CID 58856633) is (2,5-dioxopyrrolidin-1-yl) [5-[2-(4-hydroxybutoxy)ethylcarbamoyl]-2-[4-[2-(3-methoxypropoxy)ethylamino]-4-oxobutyl]-9H-fluoren-9-yl]methyl carbonate.

What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) [5-[2-(4-hydroxybutoxy)ethylcarbamoyl]-2-[4-[2-(3-methoxypropoxy)ethylamino]-4-oxobutyl]-9H-fluoren-9-yl]methyl carbonate?

The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) [5-[2-(4-hydroxybutoxy)ethylcarbamoyl]-2-[4-[2-(3-methoxypropoxy)ethylamino]-4-oxobutyl]-9H-fluoren-9-yl]methyl carbonate is COCCCOCCNC(=O)CCCc1ccc2c(c1)C(COC(=O)ON1C(=O)CCC1=O)c1cccc(C(=O)NCCOCCCCO)c1-2.

What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) [5-[2-(4-hydroxybutoxy)ethylcarbamoyl]-2-[4-[2-(3-methoxypropoxy)ethylamino]-4-oxobutyl]-9H-fluoren-9-yl]methyl carbonate?

The InChIKey is VLWQTWFNHDMKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H47N3O11/c1-46-18-6-20-48-21-15-37-31(41)10-4-7-25-11-12-27-29(23-25)30(24-49-36(45)50-39-32(42)13-14-33(39)43)26-8-5-9-28(34(26)27)35(44)38-16-22-47-19-3-2-17-40/h5,8-9,11-12,23,30,40H,2-4,6-7,10,13-22,24H2,1H3,(H,37,41)(H,38,44).

What are the key properties of (2,5-dioxopyrrolidin-1-yl) [5-[2-(4-hydroxybutoxy)ethylcarbamoyl]-2-[4-[2-(3-methoxypropoxy)ethylamino]-4-oxobutyl]-9H-fluoren-9-yl]methyl carbonate?

(2,5-dioxopyrrolidin-1-yl) [5-[2-(4-hydroxybutoxy)ethylcarbamoyl]-2-[4-[2-(3-methoxypropoxy)ethylamino]-4-oxobutyl]-9H-fluoren-9-yl]methyl carbonate has a molecular weight of 697.78 g/mol, XLogP of 3.03, 22 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (2,5-dioxopyrrolidin-1-yl) [5-[2-(4-hydroxybutoxy)ethylcarbamoyl]-2-[4-[2-(3-methoxypropoxy)ethylamino]-4-oxobutyl]-9H-fluoren-9-yl]methyl carbonate is sourced from PubChem (CID 58856633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).