1-(4-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione

C20H21NO4 — CID 2876329

IUPAC1-(4-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione
SMILESCOc1ccc(N2C(=O)CC(c3ccc(OC(C)C)cc3)C2=O)cc1
InChIInChI=1S/C20H21NO4/c1-13(2)25-17-8-4-14(5-9-17)18-12-19(22)21(20(18)23)15-6-10-16(24-3)11-7-15/h4-11,13,18H,12H2,1-3H3
InChIKeyMIZSEEMWCXGXNS-UHFFFAOYSA-N
MW339.39 g/mol
LogP3.53
Rot. Bonds5

About 1-(4-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione

1-(4-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione (PubChem CID 2876329) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione
PubChem CID2876329
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Name1-(4-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione
SMILESCOc1ccc(N2C(=O)CC(c3ccc(OC(C)C)cc3)C2=O)cc1
InChIInChI=1S/C20H21NO4/c1-13(2)25-17-8-4-14(5-9-17)18-12-19(22)21(20(18)23)15-6-10-16(24-3)11-7-15/h4-11,13,18H,12H2,1-3H3
InChIKeyMIZSEEMWCXGXNS-UHFFFAOYSA-N
XLogP3.53
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(4-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione (CID 2876329) is 1-(4-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(4-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione is COc1ccc(N2C(=O)CC(c3ccc(OC(C)C)cc3)C2=O)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione?
The InChIKey is MIZSEEMWCXGXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4/c1-13(2)25-17-8-4-14(5-9-17)18-12-19(22)21(20(18)23)15-6-10-16(24-3)11-7-15/h4-11,13,18H,12H2,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione?
1-(4-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione has a molecular weight of 339.39 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 2876329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).