3-(4-methoxyanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione

C18H18N2O3 — CID 2971667

IUPAC3-(4-methoxyanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione
SMILESCOc1ccc(NC2CC(=O)N(c3cccc(C)c3)C2=O)cc1
InChIInChI=1S/C18H18N2O3/c1-12-4-3-5-14(10-12)20-17(21)11-16(18(20)22)19-13-6-8-15(23-2)9-7-13/h3-10,16,19H,11H2,1-2H3
InChIKeyXQIFLVAOUNFAAK-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.75
Rot. Bonds4

About 3-(4-methoxyanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione

3-(4-methoxyanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione (PubChem CID 2971667) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 3-(4-methoxyanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(4-methoxyanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione
PubChem CID2971667
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name3-(4-methoxyanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione
SMILESCOc1ccc(NC2CC(=O)N(c3cccc(C)c3)C2=O)cc1
InChIInChI=1S/C18H18N2O3/c1-12-4-3-5-14(10-12)20-17(21)11-16(18(20)22)19-13-6-8-15(23-2)9-7-13/h3-10,16,19H,11H2,1-2H3
InChIKeyXQIFLVAOUNFAAK-UHFFFAOYSA-N
XLogP2.75
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(4-methoxyanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione (CID 2971667) is 3-(4-methoxyanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(4-methoxyanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(4-methoxyanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione is COc1ccc(NC2CC(=O)N(c3cccc(C)c3)C2=O)cc1.
What is the InChIKey of 3-(4-methoxyanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione?
The InChIKey is XQIFLVAOUNFAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-12-4-3-5-14(10-12)20-17(21)11-16(18(20)22)19-13-6-8-15(23-2)9-7-13/h3-10,16,19H,11H2,1-2H3.
What are the key properties of 3-(4-methoxyanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione?
3-(4-methoxyanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione has a molecular weight of 310.35 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 2971667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).