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

C25H26N2O6 — CID 3071136

IUPAC3-[4-[5-[4-(2,5-dioxopyrrolidin-3-yl)phenoxy]pentoxy]phenyl]pyrrolidine-2,5-dione
SMILESO=C1CC(c2ccc(OCCCCCOc3ccc(C4CC(=O)NC4=O)cc3)cc2)C(=O)N1
InChIInChI=1S/C25H26N2O6/c28-22-14-20(24(30)26-22)16-4-8-18(9-5-16)32-12-2-1-3-13-33-19-10-6-17(7-11-19)21-15-23(29)27-25(21)31/h4-11,20-21H,1-3,12-15H2,(H,26,28,30)(H,27,29,31)
InChIKeyAWTCEAFSXKGJBX-UHFFFAOYSA-N
MW450.49 g/mol
LogP2.57
Rot. Bonds10

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

3-[4-[5-[4-(2,5-dioxopyrrolidin-3-yl)phenoxy]pentoxy]phenyl]pyrrolidine-2,5-dione (PubChem CID 3071136) has the molecular formula C25H26N2O6 and a molecular weight of 450.49 g/mol. Its IUPAC name is 3-[4-[5-[4-(2,5-dioxopyrrolidin-3-yl)phenoxy]pentoxy]phenyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[4-[5-[4-(2,5-dioxopyrrolidin-3-yl)phenoxy]pentoxy]phenyl]pyrrolidine-2,5-dione
PubChem CID3071136
Molecular FormulaC25H26N2O6
Molecular Weight450.49 g/mol
Exact Mass450.18
IUPAC Name3-[4-[5-[4-(2,5-dioxopyrrolidin-3-yl)phenoxy]pentoxy]phenyl]pyrrolidine-2,5-dione
SMILESO=C1CC(c2ccc(OCCCCCOc3ccc(C4CC(=O)NC4=O)cc3)cc2)C(=O)N1
InChIInChI=1S/C25H26N2O6/c28-22-14-20(24(30)26-22)16-4-8-18(9-5-16)32-12-2-1-3-13-33-19-10-6-17(7-11-19)21-15-23(29)27-25(21)31/h4-11,20-21H,1-3,12-15H2,(H,26,28,30)(H,27,29,31)
InChIKeyAWTCEAFSXKGJBX-UHFFFAOYSA-N
XLogP2.57
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.49
LogP ≤ 52.57
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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Related Compounds

2,5-Pyrrolidinedione, 3-(4-(1-methylethoxy)phenyl)-
CID 214258
3-(4-Heptyloxy-phenyl)-1-methyl-pyrrolidine-2,5-dione
CID 3095544
1-Methyl-3-[4-(3-methylbutoxy)phenyl]pyrrolidine-2,5-dione
CID 3100539
3-(4-Isopropoxy-phenyl)-1-methyl-pyrrolidine-2,5-dione
CID 3105271
4-(4-Isopropoxyphenyl)pyrrolidin-2-one
CID 3112940
3-(4-Ethoxyphenyl)pyrrolidine-2,5-dione
CID 4588471
2,5-Pyrrolidinedione, 1-hydroxy-3-(4-((3-methyl-2-butenyl)oxy)phenyl)-4-(2-methylpropyl)-, (3S,4R)-
CID 10314642
3-(4-Isopropoxy-benzyl)-pyrrolidine-2,5-dione
CID 646428
3-(4-Butoxyphenyl)-1-methylpyrrolidine-2,5-dione
CID 659485
3-(4-Butoxyphenyl)-2,5-pyrrolidinedione
CID 2835333
3-(4-Octyloxy-phenyl)-pyrrolidine-2,5-dione
CID 3095543
3-(4-Butoxyphenyl)-3-methylpyrrolidine-2,5-dione
CID 584277

Frequently Asked Questions

What is the IUPAC name of 3-[4-[5-[4-(2,5-dioxopyrrolidin-3-yl)phenoxy]pentoxy]phenyl]pyrrolidine-2,5-dione?
The IUPAC name of 3-[4-[5-[4-(2,5-dioxopyrrolidin-3-yl)phenoxy]pentoxy]phenyl]pyrrolidine-2,5-dione (CID 3071136) is 3-[4-[5-[4-(2,5-dioxopyrrolidin-3-yl)phenoxy]pentoxy]phenyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[4-[5-[4-(2,5-dioxopyrrolidin-3-yl)phenoxy]pentoxy]phenyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-[4-[5-[4-(2,5-dioxopyrrolidin-3-yl)phenoxy]pentoxy]phenyl]pyrrolidine-2,5-dione is O=C1CC(c2ccc(OCCCCCOc3ccc(C4CC(=O)NC4=O)cc3)cc2)C(=O)N1.
What is the InChIKey of 3-[4-[5-[4-(2,5-dioxopyrrolidin-3-yl)phenoxy]pentoxy]phenyl]pyrrolidine-2,5-dione?
The InChIKey is AWTCEAFSXKGJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O6/c28-22-14-20(24(30)26-22)16-4-8-18(9-5-16)32-12-2-1-3-13-33-19-10-6-17(7-11-19)21-15-23(29)27-25(21)31/h4-11,20-21H,1-3,12-15H2,(H,26,28,30)(H,27,29,31).
What are the key properties of 3-[4-[5-[4-(2,5-dioxopyrrolidin-3-yl)phenoxy]pentoxy]phenyl]pyrrolidine-2,5-dione?
3-[4-[5-[4-(2,5-dioxopyrrolidin-3-yl)phenoxy]pentoxy]phenyl]pyrrolidine-2,5-dione has a molecular weight of 450.49 g/mol, XLogP of 2.57, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[5-[4-(2,5-dioxopyrrolidin-3-yl)phenoxy]pentoxy]phenyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 3071136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).