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

C37H48N2O11 — CID 157273937

IUPAC(2,5-dioxopyrrolidin-1-yl) [5-[4-(4-hydroxybutan-2-yloxy)butanoyl]-2-[4-[2-(3-methoxypropoxy)ethylamino]-4-oxobutyl]-9H-fluoren-9-yl]methyl carbonate
SMILESCOCCCOCCNC(=O)CCCc1ccc2c(c1)C(COC(=O)ON1C(=O)CCC1=O)c1cccc(C(=O)CCCOC(C)CCO)c1-2
InChIInChI=1S/C37H48N2O11/c1-25(16-18-40)48-21-5-10-32(41)29-9-4-8-27-31(24-49-37(45)50-39-34(43)14-15-35(39)44)30-23-26(12-13-28(30)36(27)29)7-3-11-33(42)38-17-22-47-20-6-19-46-2/h4,8-9,12-13,23,25,31,40H,3,5-7,10-11,14-22,24H2,1-2H3,(H,38,42)
InChIKeyFKPZXADKPKVWJC-UHFFFAOYSA-N
MW696.79 g/mol
LogP4.26
Rot. Bonds22

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

(2,5-dioxopyrrolidin-1-yl) [5-[4-(4-hydroxybutan-2-yloxy)butanoyl]-2-[4-[2-(3-methoxypropoxy)ethylamino]-4-oxobutyl]-9H-fluoren-9-yl]methyl carbonate (PubChem CID 157273937) has the molecular formula C37H48N2O11 and a molecular weight of 696.79 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) [5-[4-(4-hydroxybutan-2-yloxy)butanoyl]-2-[4-[2-(3-methoxypropoxy)ethylamino]-4-oxobutyl]-9H-fluoren-9-yl]methyl carbonate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) [5-[4-(4-hydroxybutan-2-yloxy)butanoyl]-2-[4-[2-(3-methoxypropoxy)ethylamino]-4-oxobutyl]-9H-fluoren-9-yl]methyl carbonate
PubChem CID157273937
Molecular FormulaC37H48N2O11
Molecular Weight696.79 g/mol
Exact Mass696.33
IUPAC Name(2,5-dioxopyrrolidin-1-yl) [5-[4-(4-hydroxybutan-2-yloxy)butanoyl]-2-[4-[2-(3-methoxypropoxy)ethylamino]-4-oxobutyl]-9H-fluoren-9-yl]methyl carbonate
SMILESCOCCCOCCNC(=O)CCCc1ccc2c(c1)C(COC(=O)ON1C(=O)CCC1=O)c1cccc(C(=O)CCCOC(C)CCO)c1-2
InChIInChI=1S/C37H48N2O11/c1-25(16-18-40)48-21-5-10-32(41)29-9-4-8-27-31(24-49-37(45)50-39-34(43)14-15-35(39)44)30-23-26(12-13-28(30)36(27)29)7-3-11-33(42)38-17-22-47-20-6-19-46-2/h4,8-9,12-13,23,25,31,40H,3,5-7,10-11,14-22,24H2,1-2H3,(H,38,42)
InChIKeyFKPZXADKPKVWJC-UHFFFAOYSA-N
XLogP4.26
TPSA167.00 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds22
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500696.79
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) [5-[4-(4-hydroxybutan-2-yloxy)butanoyl]-2-[4-[2-(3-methoxypropoxy)ethylamino]-4-oxobutyl]-9H-fluoren-9-yl]methyl carbonate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) [5-[4-(4-hydroxybutan-2-yloxy)butanoyl]-2-[4-[2-(3-methoxypropoxy)ethylamino]-4-oxobutyl]-9H-fluoren-9-yl]methyl carbonate (CID 157273937) is (2,5-dioxopyrrolidin-1-yl) [5-[4-(4-hydroxybutan-2-yloxy)butanoyl]-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-[4-(4-hydroxybutan-2-yloxy)butanoyl]-2-[4-[2-(3-methoxypropoxy)ethylamino]-4-oxobutyl]-9H-fluoren-9-yl]methyl carbonate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) [5-[4-(4-hydroxybutan-2-yloxy)butanoyl]-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)CCCOC(C)CCO)c1-2.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) [5-[4-(4-hydroxybutan-2-yloxy)butanoyl]-2-[4-[2-(3-methoxypropoxy)ethylamino]-4-oxobutyl]-9H-fluoren-9-yl]methyl carbonate?
The InChIKey is FKPZXADKPKVWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H48N2O11/c1-25(16-18-40)48-21-5-10-32(41)29-9-4-8-27-31(24-49-37(45)50-39-34(43)14-15-35(39)44)30-23-26(12-13-28(30)36(27)29)7-3-11-33(42)38-17-22-47-20-6-19-46-2/h4,8-9,12-13,23,25,31,40H,3,5-7,10-11,14-22,24H2,1-2H3,(H,38,42).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) [5-[4-(4-hydroxybutan-2-yloxy)butanoyl]-2-[4-[2-(3-methoxypropoxy)ethylamino]-4-oxobutyl]-9H-fluoren-9-yl]methyl carbonate?
(2,5-dioxopyrrolidin-1-yl) [5-[4-(4-hydroxybutan-2-yloxy)butanoyl]-2-[4-[2-(3-methoxypropoxy)ethylamino]-4-oxobutyl]-9H-fluoren-9-yl]methyl carbonate has a molecular weight of 696.79 g/mol, XLogP of 4.26, 22 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) [5-[4-(4-hydroxybutan-2-yloxy)butanoyl]-2-[4-[2-(3-methoxypropoxy)ethylamino]-4-oxobutyl]-9H-fluoren-9-yl]methyl carbonate is sourced from PubChem (CID 157273937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).