3-(4-methoxyphenyl)-1-naphthalen-1-yl-4-pyrrolidin-1-ylpyrrole-2,5-dione

C25H22N2O3 — CID 110557775

IUPAC3-(4-methoxyphenyl)-1-naphthalen-1-yl-4-pyrrolidin-1-ylpyrrole-2,5-dione
SMILESCOc1ccc(C2=C(N3CCCC3)C(=O)N(c3cccc4ccccc34)C2=O)cc1
InChIInChI=1S/C25H22N2O3/c1-30-19-13-11-18(12-14-19)22-23(26-15-4-5-16-26)25(29)27(24(22)28)21-10-6-8-17-7-2-3-9-20(17)21/h2-3,6-14H,4-5,15-16H2,1H3
InChIKeyBUTDMDGKTODOFS-UHFFFAOYSA-N
MW398.46 g/mol
LogP4.23
Rot. Bonds4

About 3-(4-methoxyphenyl)-1-naphthalen-1-yl-4-pyrrolidin-1-ylpyrrole-2,5-dione

3-(4-methoxyphenyl)-1-naphthalen-1-yl-4-pyrrolidin-1-ylpyrrole-2,5-dione (PubChem CID 110557775) has the molecular formula C25H22N2O3 and a molecular weight of 398.46 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-naphthalen-1-yl-4-pyrrolidin-1-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-naphthalen-1-yl-4-pyrrolidin-1-ylpyrrole-2,5-dione
PubChem CID110557775
Molecular FormulaC25H22N2O3
Molecular Weight398.46 g/mol
Exact Mass398.16
IUPAC Name3-(4-methoxyphenyl)-1-naphthalen-1-yl-4-pyrrolidin-1-ylpyrrole-2,5-dione
SMILESCOc1ccc(C2=C(N3CCCC3)C(=O)N(c3cccc4ccccc34)C2=O)cc1
InChIInChI=1S/C25H22N2O3/c1-30-19-13-11-18(12-14-19)22-23(26-15-4-5-16-26)25(29)27(24(22)28)21-10-6-8-17-7-2-3-9-20(17)21/h2-3,6-14H,4-5,15-16H2,1H3
InChIKeyBUTDMDGKTODOFS-UHFFFAOYSA-N
XLogP4.23
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-methoxyphenyl)-1-naphthalen-1-yl-4-piperidin-1-ylpyrrole-2,5-dione
CID 110557771
3-(4-methylphenyl)-1-naphthalen-1-yl-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110574193
3-(4-methoxyphenyl)-1-phenyl-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110557556
3-(4-methylphenyl)-4-(3-methylpiperidin-1-yl)-1-naphthalen-1-ylpyrrole-2,5-dione
CID 110574191
1-(2,5-dimethoxyphenyl)-3-phenyl-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110560804
3-(4-methoxyphenyl)-1-(2-methylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110558108
1-(2,5-difluorophenyl)-3-(4-methoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110558240
3-(2,4-dimethylphenyl)-1-naphthalen-1-yl-4-piperidin-1-ylpyrrole-2,5-dione
CID 110580030
3-(4-methoxyphenyl)-1-methyl-4-piperidin-1-ylpyrrole-2,5-dione
CID 110556345
1-(2-fluorophenyl)-3-(4-methoxyphenyl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110557240
1-(3-chloro-2-methylphenyl)-3-(4-methoxyphenyl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110557141
1-(3,5-dichlorophenyl)-3-(4-methoxyphenyl)-4-piperidin-1-ylpyrrole-2,5-dione
CID 110557226

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1-naphthalen-1-yl-4-pyrrolidin-1-ylpyrrole-2,5-dione?
The IUPAC name of 3-(4-methoxyphenyl)-1-naphthalen-1-yl-4-pyrrolidin-1-ylpyrrole-2,5-dione (CID 110557775) is 3-(4-methoxyphenyl)-1-naphthalen-1-yl-4-pyrrolidin-1-ylpyrrole-2,5-dione.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-naphthalen-1-yl-4-pyrrolidin-1-ylpyrrole-2,5-dione?
The canonical SMILES for 3-(4-methoxyphenyl)-1-naphthalen-1-yl-4-pyrrolidin-1-ylpyrrole-2,5-dione is COc1ccc(C2=C(N3CCCC3)C(=O)N(c3cccc4ccccc34)C2=O)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-naphthalen-1-yl-4-pyrrolidin-1-ylpyrrole-2,5-dione?
The InChIKey is BUTDMDGKTODOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O3/c1-30-19-13-11-18(12-14-19)22-23(26-15-4-5-16-26)25(29)27(24(22)28)21-10-6-8-17-7-2-3-9-20(17)21/h2-3,6-14H,4-5,15-16H2,1H3.
What are the key properties of 3-(4-methoxyphenyl)-1-naphthalen-1-yl-4-pyrrolidin-1-ylpyrrole-2,5-dione?
3-(4-methoxyphenyl)-1-naphthalen-1-yl-4-pyrrolidin-1-ylpyrrole-2,5-dione has a molecular weight of 398.46 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1-naphthalen-1-yl-4-pyrrolidin-1-ylpyrrole-2,5-dione is sourced from PubChem (CID 110557775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).