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

C24H26N2O4 — CID 110565180

IUPAC3-(2-methoxyphenyl)-1-(3-propoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
SMILESCCCOc1cccc(N2C(=O)C(c3ccccc3OC)=C(N3CCCC3)C2=O)c1
InChIInChI=1S/C24H26N2O4/c1-3-15-30-18-10-8-9-17(16-18)26-23(27)21(19-11-4-5-12-20(19)29-2)22(24(26)28)25-13-6-7-14-25/h4-5,8-12,16H,3,6-7,13-15H2,1-2H3
InChIKeyDUPDETGKACLFEH-UHFFFAOYSA-N
MW406.48 g/mol
LogP3.86
Rot. Bonds7

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

3-(2-methoxyphenyl)-1-(3-propoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione (PubChem CID 110565180) has the molecular formula C24H26N2O4 and a molecular weight of 406.48 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-1-(3-propoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-1-(3-propoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
PubChem CID110565180
Molecular FormulaC24H26N2O4
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC Name3-(2-methoxyphenyl)-1-(3-propoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
SMILESCCCOc1cccc(N2C(=O)C(c3ccccc3OC)=C(N3CCCC3)C2=O)c1
InChIInChI=1S/C24H26N2O4/c1-3-15-30-18-10-8-9-17(16-18)26-23(27)21(19-11-4-5-12-20(19)29-2)22(24(26)28)25-13-6-7-14-25/h4-5,8-12,16H,3,6-7,13-15H2,1-2H3
InChIKeyDUPDETGKACLFEH-UHFFFAOYSA-N
XLogP3.86
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-1-(3-propoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione?
The IUPAC name of 3-(2-methoxyphenyl)-1-(3-propoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione (CID 110565180) is 3-(2-methoxyphenyl)-1-(3-propoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione.
What is the SMILES notation for 3-(2-methoxyphenyl)-1-(3-propoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione?
The canonical SMILES for 3-(2-methoxyphenyl)-1-(3-propoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione is CCCOc1cccc(N2C(=O)C(c3ccccc3OC)=C(N3CCCC3)C2=O)c1.
What is the InChIKey of 3-(2-methoxyphenyl)-1-(3-propoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione?
The InChIKey is DUPDETGKACLFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4/c1-3-15-30-18-10-8-9-17(16-18)26-23(27)21(19-11-4-5-12-20(19)29-2)22(24(26)28)25-13-6-7-14-25/h4-5,8-12,16H,3,6-7,13-15H2,1-2H3.
What are the key properties of 3-(2-methoxyphenyl)-1-(3-propoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione?
3-(2-methoxyphenyl)-1-(3-propoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione has a molecular weight of 406.48 g/mol, XLogP of 3.86, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-1-(3-propoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione is sourced from PubChem (CID 110565180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).