1-(3-methoxyphenyl)-3-[4-(2-methylpropoxy)phenyl]-4-pyrrolidin-1-ylpyrrole-2,5-dione

C25H28N2O4 — CID 110550976

IUPAC1-(3-methoxyphenyl)-3-[4-(2-methylpropoxy)phenyl]-4-pyrrolidin-1-ylpyrrole-2,5-dione
SMILESCOc1cccc(N2C(=O)C(c3ccc(OCC(C)C)cc3)=C(N3CCCC3)C2=O)c1
InChIInChI=1S/C25H28N2O4/c1-17(2)16-31-20-11-9-18(10-12-20)22-23(26-13-4-5-14-26)25(29)27(24(22)28)19-7-6-8-21(15-19)30-3/h6-12,15,17H,4-5,13-14,16H2,1-3H3
InChIKeyRMPUMAWKNILAOR-UHFFFAOYSA-N
MW420.51 g/mol
LogP4.11
Rot. Bonds7

About 1-(3-methoxyphenyl)-3-[4-(2-methylpropoxy)phenyl]-4-pyrrolidin-1-ylpyrrole-2,5-dione

1-(3-methoxyphenyl)-3-[4-(2-methylpropoxy)phenyl]-4-pyrrolidin-1-ylpyrrole-2,5-dione (PubChem CID 110550976) has the molecular formula C25H28N2O4 and a molecular weight of 420.51 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-[4-(2-methylpropoxy)phenyl]-4-pyrrolidin-1-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-[4-(2-methylpropoxy)phenyl]-4-pyrrolidin-1-ylpyrrole-2,5-dione
PubChem CID110550976
Molecular FormulaC25H28N2O4
Molecular Weight420.51 g/mol
Exact Mass420.20
IUPAC Name1-(3-methoxyphenyl)-3-[4-(2-methylpropoxy)phenyl]-4-pyrrolidin-1-ylpyrrole-2,5-dione
SMILESCOc1cccc(N2C(=O)C(c3ccc(OCC(C)C)cc3)=C(N3CCCC3)C2=O)c1
InChIInChI=1S/C25H28N2O4/c1-17(2)16-31-20-11-9-18(10-12-20)22-23(26-13-4-5-14-26)25(29)27(24(22)28)19-7-6-8-21(15-19)30-3/h6-12,15,17H,4-5,13-14,16H2,1-3H3
InChIKeyRMPUMAWKNILAOR-UHFFFAOYSA-N
XLogP4.11
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(3-methoxyphenyl)-3-[4-(2-methylpropoxy)phenyl]-4-pyrrolidin-1-ylpyrrole-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-(3-methoxyphenyl)-3-piperidin-1-yl-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110574844
4-[3-[4-(2-methylpropoxy)phenyl]-2,5-dioxo-4-pyrrolidin-1-ylpyrrol-1-yl]benzonitrile
CID 110551873
3-(4-methoxyphenyl)-1-phenyl-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110557556
1-(2,3-dimethylphenyl)-3-[4-(2-methylpropoxy)phenyl]-4-piperidin-1-ylpyrrole-2,5-dione
CID 110551744
3-(4-methoxyphenyl)-4-(3-methylpiperidin-1-yl)-1-[4-(2-methylpropoxy)phenyl]pyrrole-2,5-dione
CID 110557762
1-(2,4-dimethylphenyl)-3-[4-(2-methylpropoxy)phenyl]-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110551860
1-(3-ethoxyphenyl)-3-phenyl-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110558487
1-[3-(dimethylamino)phenyl]-3-(4-methoxyphenyl)-4-piperidin-1-ylpyrrole-2,5-dione
CID 110558135
3-(3,4-dimethoxyphenyl)-1-(3-ethoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110563810
3-(2,6-dimethylmorpholin-4-yl)-1-(3-methylphenyl)-4-[4-(2-methylpropoxy)phenyl]pyrrole-2,5-dione
CID 110551810
1-[3-(dimethylamino)phenyl]-3-(4-ethoxyphenyl)-4-piperidin-1-ylpyrrole-2,5-dione
CID 110548037
1-(3-fluorophenyl)-3-(4-propoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110577233

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-[4-(2-methylpropoxy)phenyl]-4-pyrrolidin-1-ylpyrrole-2,5-dione?
The IUPAC name of 1-(3-methoxyphenyl)-3-[4-(2-methylpropoxy)phenyl]-4-pyrrolidin-1-ylpyrrole-2,5-dione (CID 110550976) is 1-(3-methoxyphenyl)-3-[4-(2-methylpropoxy)phenyl]-4-pyrrolidin-1-ylpyrrole-2,5-dione.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-[4-(2-methylpropoxy)phenyl]-4-pyrrolidin-1-ylpyrrole-2,5-dione?
The canonical SMILES for 1-(3-methoxyphenyl)-3-[4-(2-methylpropoxy)phenyl]-4-pyrrolidin-1-ylpyrrole-2,5-dione is COc1cccc(N2C(=O)C(c3ccc(OCC(C)C)cc3)=C(N3CCCC3)C2=O)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-[4-(2-methylpropoxy)phenyl]-4-pyrrolidin-1-ylpyrrole-2,5-dione?
The InChIKey is RMPUMAWKNILAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4/c1-17(2)16-31-20-11-9-18(10-12-20)22-23(26-13-4-5-14-26)25(29)27(24(22)28)19-7-6-8-21(15-19)30-3/h6-12,15,17H,4-5,13-14,16H2,1-3H3.
What are the key properties of 1-(3-methoxyphenyl)-3-[4-(2-methylpropoxy)phenyl]-4-pyrrolidin-1-ylpyrrole-2,5-dione?
1-(3-methoxyphenyl)-3-[4-(2-methylpropoxy)phenyl]-4-pyrrolidin-1-ylpyrrole-2,5-dione has a molecular weight of 420.51 g/mol, XLogP of 4.11, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-[4-(2-methylpropoxy)phenyl]-4-pyrrolidin-1-ylpyrrole-2,5-dione is sourced from PubChem (CID 110550976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).