1-[4-[4-[4-(2,5-dioxopyrrol-1-yl)phenyl]-4-methylpentan-2-yl]phenyl]pyrrole-2,5-dione

C26H24N2O4 — CID 70559199

IUPAC1-[4-[4-[4-(2,5-dioxopyrrol-1-yl)phenyl]-4-methylpentan-2-yl]phenyl]pyrrole-2,5-dione
SMILESCC(CC(C)(C)c1ccc(N2C(=O)C=CC2=O)cc1)c1ccc(N2C(=O)C=CC2=O)cc1
InChIInChI=1S/C26H24N2O4/c1-17(18-4-8-20(9-5-18)27-22(29)12-13-23(27)30)16-26(2,3)19-6-10-21(11-7-19)28-24(31)14-15-25(28)32/h4-15,17H,16H2,1-3H3
InChIKeyNJELKXVZKBFQBC-UHFFFAOYSA-N
MW428.49 g/mol
LogP4.02
Rot. Bonds6

About 1-[4-[4-[4-(2,5-dioxopyrrol-1-yl)phenyl]-4-methylpentan-2-yl]phenyl]pyrrole-2,5-dione

1-[4-[4-[4-(2,5-dioxopyrrol-1-yl)phenyl]-4-methylpentan-2-yl]phenyl]pyrrole-2,5-dione (PubChem CID 70559199) has the molecular formula C26H24N2O4 and a molecular weight of 428.49 g/mol. Its IUPAC name is 1-[4-[4-[4-(2,5-dioxopyrrol-1-yl)phenyl]-4-methylpentan-2-yl]phenyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[4-[4-[4-(2,5-dioxopyrrol-1-yl)phenyl]-4-methylpentan-2-yl]phenyl]pyrrole-2,5-dione
PubChem CID70559199
Molecular FormulaC26H24N2O4
Molecular Weight428.49 g/mol
Exact Mass428.17
IUPAC Name1-[4-[4-[4-(2,5-dioxopyrrol-1-yl)phenyl]-4-methylpentan-2-yl]phenyl]pyrrole-2,5-dione
SMILESCC(CC(C)(C)c1ccc(N2C(=O)C=CC2=O)cc1)c1ccc(N2C(=O)C=CC2=O)cc1
InChIInChI=1S/C26H24N2O4/c1-17(18-4-8-20(9-5-18)27-22(29)12-13-23(27)30)16-26(2,3)19-6-10-21(11-7-19)28-24(31)14-15-25(28)32/h4-15,17H,16H2,1-3H3
InChIKeyNJELKXVZKBFQBC-UHFFFAOYSA-N
XLogP4.02
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[4-[4-[4-(2,5-dioxopyrrol-1-yl)phenyl]-4-methylpentan-2-yl]phenyl]pyrrole-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[1-[4-(2,5-dioxopyrrol-1-yl)phenyl]ethyl]phenyl]pyrrole-2,5-dione
CID 20502008
3-[4-(2,5-dioxopyrrol-1-yl)phenyl]-3-methylbutanamide
CID 126575394
1-[4-[4-[2-[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]propan-2-yl]phenyl]propan-2-yl]phenoxy]phenyl]pyrrole-2,5-dione
CID 18995304
1-[4-(3-bromo-1,2-dihydroxypropyl)phenyl]pyrrole-2,5-dione
CID 171860969
4-[4-(4-amino-4-methylpentan-2-yl)phenyl]-2,4-dimethylpentan-2-amine
CID 130368070
1-[4-(dihydroxymethyl)phenyl]pyrrole-2,5-dione
CID 149391742
1-[4-[[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]propan-2-yl]phenyl]methyl]phenyl]pyrrole-2,5-dione
CID 163499593
potassium;1-(bromomethyl)-4-(4,4-dimethylhexan-2-yl)benzene;[4-(4,4-dimethylhexan-2-yl)phenyl]methyl 4-(2,5-dioxopyrrol-1-yl)benzoate;4-(2,5-dioxopyrrol-1-yl)benzoate
CID 160654810
1-[4-[4-[1-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]butyl]phenoxy]phenyl]pyrrole-2,5-dione
CID 174939260
2-bromo-2-[4-(2,5-dioxopyrrol-1-yl)phenyl]butanoic acid
CID 141181305
1-[4-[4-[2-[3-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]propan-2-yl]phenyl]propan-2-yl]phenoxy]phenyl]pyrrole-2,5-dione
CID 15277901
1-[4-[4-[4-(2,5-dioxopyrrol-1-yl)phenyl]-4-methylpent-2-en-2-yl]phenyl]pyrrole-2,5-dione
CID 54379994

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[4-(2,5-dioxopyrrol-1-yl)phenyl]-4-methylpentan-2-yl]phenyl]pyrrole-2,5-dione?
The IUPAC name of 1-[4-[4-[4-(2,5-dioxopyrrol-1-yl)phenyl]-4-methylpentan-2-yl]phenyl]pyrrole-2,5-dione (CID 70559199) is 1-[4-[4-[4-(2,5-dioxopyrrol-1-yl)phenyl]-4-methylpentan-2-yl]phenyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[4-[4-[4-(2,5-dioxopyrrol-1-yl)phenyl]-4-methylpentan-2-yl]phenyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[4-[4-[4-(2,5-dioxopyrrol-1-yl)phenyl]-4-methylpentan-2-yl]phenyl]pyrrole-2,5-dione is CC(CC(C)(C)c1ccc(N2C(=O)C=CC2=O)cc1)c1ccc(N2C(=O)C=CC2=O)cc1.
What is the InChIKey of 1-[4-[4-[4-(2,5-dioxopyrrol-1-yl)phenyl]-4-methylpentan-2-yl]phenyl]pyrrole-2,5-dione?
The InChIKey is NJELKXVZKBFQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O4/c1-17(18-4-8-20(9-5-18)27-22(29)12-13-23(27)30)16-26(2,3)19-6-10-21(11-7-19)28-24(31)14-15-25(28)32/h4-15,17H,16H2,1-3H3.
What are the key properties of 1-[4-[4-[4-(2,5-dioxopyrrol-1-yl)phenyl]-4-methylpentan-2-yl]phenyl]pyrrole-2,5-dione?
1-[4-[4-[4-(2,5-dioxopyrrol-1-yl)phenyl]-4-methylpentan-2-yl]phenyl]pyrrole-2,5-dione has a molecular weight of 428.49 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[4-(2,5-dioxopyrrol-1-yl)phenyl]-4-methylpentan-2-yl]phenyl]pyrrole-2,5-dione is sourced from PubChem (CID 70559199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).