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

C19H20N2O3 — CID 2852769

IUPAC3-(4-methoxyanilino)-1-(2-phenylethyl)pyrrolidine-2,5-dione
SMILESCOc1ccc(NC2CC(=O)N(CCc3ccccc3)C2=O)cc1
InChIInChI=1S/C19H20N2O3/c1-24-16-9-7-15(8-10-16)20-17-13-18(22)21(19(17)23)12-11-14-5-3-2-4-6-14/h2-10,17,20H,11-13H2,1H3
InChIKeyBCTVPRQROHASNP-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.48
Rot. Bonds6

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

3-(4-methoxyanilino)-1-(2-phenylethyl)pyrrolidine-2,5-dione (PubChem CID 2852769) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 3-(4-methoxyanilino)-1-(2-phenylethyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(4-methoxyanilino)-1-(2-phenylethyl)pyrrolidine-2,5-dione
PubChem CID2852769
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name3-(4-methoxyanilino)-1-(2-phenylethyl)pyrrolidine-2,5-dione
SMILESCOc1ccc(NC2CC(=O)N(CCc3ccccc3)C2=O)cc1
InChIInChI=1S/C19H20N2O3/c1-24-16-9-7-15(8-10-16)20-17-13-18(22)21(19(17)23)12-11-14-5-3-2-4-6-14/h2-10,17,20H,11-13H2,1H3
InChIKeyBCTVPRQROHASNP-UHFFFAOYSA-N
XLogP2.48
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.48
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-(2-phenylethyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(4-methoxyanilino)-1-(2-phenylethyl)pyrrolidine-2,5-dione (CID 2852769) is 3-(4-methoxyanilino)-1-(2-phenylethyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(4-methoxyanilino)-1-(2-phenylethyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(4-methoxyanilino)-1-(2-phenylethyl)pyrrolidine-2,5-dione is COc1ccc(NC2CC(=O)N(CCc3ccccc3)C2=O)cc1.
What is the InChIKey of 3-(4-methoxyanilino)-1-(2-phenylethyl)pyrrolidine-2,5-dione?
The InChIKey is BCTVPRQROHASNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-24-16-9-7-15(8-10-16)20-17-13-18(22)21(19(17)23)12-11-14-5-3-2-4-6-14/h2-10,17,20H,11-13H2,1H3.
What are the key properties of 3-(4-methoxyanilino)-1-(2-phenylethyl)pyrrolidine-2,5-dione?
3-(4-methoxyanilino)-1-(2-phenylethyl)pyrrolidine-2,5-dione has a molecular weight of 324.38 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyanilino)-1-(2-phenylethyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 2852769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).