3-[4-[4-[4-(2,5-dioxopyrrolidin-3-yl)phenoxy]butoxy]phenyl]pyrrolidine-2,5-dione

C24H24N2O6 — CID 3071135

IUPAC3-[4-[4-[4-(2,5-dioxopyrrolidin-3-yl)phenoxy]butoxy]phenyl]pyrrolidine-2,5-dione
SMILESO=C1CC(c2ccc(OCCCCOc3ccc(C4CC(=O)NC4=O)cc3)cc2)C(=O)N1
InChIInChI=1S/C24H24N2O6/c27-21-13-19(23(29)25-21)15-3-7-17(8-4-15)31-11-1-2-12-32-18-9-5-16(6-10-18)20-14-22(28)26-24(20)30/h3-10,19-20H,1-2,11-14H2,(H,25,27,29)(H,26,28,30)
InChIKeyJFRADCVGQVHAHW-UHFFFAOYSA-N
MW436.46 g/mol
LogP2.18
Rot. Bonds9

About 3-[4-[4-[4-(2,5-dioxopyrrolidin-3-yl)phenoxy]butoxy]phenyl]pyrrolidine-2,5-dione

3-[4-[4-[4-(2,5-dioxopyrrolidin-3-yl)phenoxy]butoxy]phenyl]pyrrolidine-2,5-dione (PubChem CID 3071135) has the molecular formula C24H24N2O6 and a molecular weight of 436.46 g/mol. Its IUPAC name is 3-[4-[4-[4-(2,5-dioxopyrrolidin-3-yl)phenoxy]butoxy]phenyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[4-[4-[4-(2,5-dioxopyrrolidin-3-yl)phenoxy]butoxy]phenyl]pyrrolidine-2,5-dione
PubChem CID3071135
Molecular FormulaC24H24N2O6
Molecular Weight436.46 g/mol
Exact Mass436.16
IUPAC Name3-[4-[4-[4-(2,5-dioxopyrrolidin-3-yl)phenoxy]butoxy]phenyl]pyrrolidine-2,5-dione
SMILESO=C1CC(c2ccc(OCCCCOc3ccc(C4CC(=O)NC4=O)cc3)cc2)C(=O)N1
InChIInChI=1S/C24H24N2O6/c27-21-13-19(23(29)25-21)15-3-7-17(8-4-15)31-11-1-2-12-32-18-9-5-16(6-10-18)20-14-22(28)26-24(20)30/h3-10,19-20H,1-2,11-14H2,(H,25,27,29)(H,26,28,30)
InChIKeyJFRADCVGQVHAHW-UHFFFAOYSA-N
XLogP2.18
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.46
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 3-[4-[4-[4-(2,5-dioxopyrrolidin-3-yl)phenoxy]butoxy]phenyl]pyrrolidine-2,5-dione?
The IUPAC name of 3-[4-[4-[4-(2,5-dioxopyrrolidin-3-yl)phenoxy]butoxy]phenyl]pyrrolidine-2,5-dione (CID 3071135) is 3-[4-[4-[4-(2,5-dioxopyrrolidin-3-yl)phenoxy]butoxy]phenyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[4-[4-[4-(2,5-dioxopyrrolidin-3-yl)phenoxy]butoxy]phenyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-[4-[4-[4-(2,5-dioxopyrrolidin-3-yl)phenoxy]butoxy]phenyl]pyrrolidine-2,5-dione is O=C1CC(c2ccc(OCCCCOc3ccc(C4CC(=O)NC4=O)cc3)cc2)C(=O)N1.
What is the InChIKey of 3-[4-[4-[4-(2,5-dioxopyrrolidin-3-yl)phenoxy]butoxy]phenyl]pyrrolidine-2,5-dione?
The InChIKey is JFRADCVGQVHAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O6/c27-21-13-19(23(29)25-21)15-3-7-17(8-4-15)31-11-1-2-12-32-18-9-5-16(6-10-18)20-14-22(28)26-24(20)30/h3-10,19-20H,1-2,11-14H2,(H,25,27,29)(H,26,28,30).
What are the key properties of 3-[4-[4-[4-(2,5-dioxopyrrolidin-3-yl)phenoxy]butoxy]phenyl]pyrrolidine-2,5-dione?
3-[4-[4-[4-(2,5-dioxopyrrolidin-3-yl)phenoxy]butoxy]phenyl]pyrrolidine-2,5-dione has a molecular weight of 436.46 g/mol, XLogP of 2.18, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-[4-(2,5-dioxopyrrolidin-3-yl)phenoxy]butoxy]phenyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 3071135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).