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

C20H22N2O4 — CID 3874053

IUPAC3-(4-methoxyanilino)-1-(2-propoxyphenyl)pyrrolidine-2,5-dione
SMILESCCCOc1ccccc1N1C(=O)CC(Nc2ccc(OC)cc2)C1=O
InChIInChI=1S/C20H22N2O4/c1-3-12-26-18-7-5-4-6-17(18)22-19(23)13-16(20(22)24)21-14-8-10-15(25-2)11-9-14/h4-11,16,21H,3,12-13H2,1-2H3
InChIKeyAUEWIIPGJDEWIS-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.23
Rot. Bonds7

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

3-(4-methoxyanilino)-1-(2-propoxyphenyl)pyrrolidine-2,5-dione (PubChem CID 3874053) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 3-(4-methoxyanilino)-1-(2-propoxyphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(4-methoxyanilino)-1-(2-propoxyphenyl)pyrrolidine-2,5-dione
PubChem CID3874053
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name3-(4-methoxyanilino)-1-(2-propoxyphenyl)pyrrolidine-2,5-dione
SMILESCCCOc1ccccc1N1C(=O)CC(Nc2ccc(OC)cc2)C1=O
InChIInChI=1S/C20H22N2O4/c1-3-12-26-18-7-5-4-6-17(18)22-19(23)13-16(20(22)24)21-14-8-10-15(25-2)11-9-14/h4-11,16,21H,3,12-13H2,1-2H3
InChIKeyAUEWIIPGJDEWIS-UHFFFAOYSA-N
XLogP3.23
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-propoxyphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(4-methoxyanilino)-1-(2-propoxyphenyl)pyrrolidine-2,5-dione (CID 3874053) is 3-(4-methoxyanilino)-1-(2-propoxyphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(4-methoxyanilino)-1-(2-propoxyphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(4-methoxyanilino)-1-(2-propoxyphenyl)pyrrolidine-2,5-dione is CCCOc1ccccc1N1C(=O)CC(Nc2ccc(OC)cc2)C1=O.
What is the InChIKey of 3-(4-methoxyanilino)-1-(2-propoxyphenyl)pyrrolidine-2,5-dione?
The InChIKey is AUEWIIPGJDEWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-3-12-26-18-7-5-4-6-17(18)22-19(23)13-16(20(22)24)21-14-8-10-15(25-2)11-9-14/h4-11,16,21H,3,12-13H2,1-2H3.
What are the key properties of 3-(4-methoxyanilino)-1-(2-propoxyphenyl)pyrrolidine-2,5-dione?
3-(4-methoxyanilino)-1-(2-propoxyphenyl)pyrrolidine-2,5-dione has a molecular weight of 354.41 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyanilino)-1-(2-propoxyphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 3874053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).