1-benzyl-3-(4-methylanilino)pyrrolidine-2,5-dione

C18H18N2O2 — CID 2975004

IUPAC1-benzyl-3-(4-methylanilino)pyrrolidine-2,5-dione
SMILESCc1ccc(NC2CC(=O)N(Cc3ccccc3)C2=O)cc1
InChIInChI=1S/C18H18N2O2/c1-13-7-9-15(10-8-13)19-16-11-17(21)20(18(16)22)12-14-5-3-2-4-6-14/h2-10,16,19H,11-12H2,1H3
InChIKeyZOBUJIZPZPVSGV-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.73
Rot. Bonds4

About 1-benzyl-3-(4-methylanilino)pyrrolidine-2,5-dione

1-benzyl-3-(4-methylanilino)pyrrolidine-2,5-dione (PubChem CID 2975004) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 1-benzyl-3-(4-methylanilino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-benzyl-3-(4-methylanilino)pyrrolidine-2,5-dione
PubChem CID2975004
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name1-benzyl-3-(4-methylanilino)pyrrolidine-2,5-dione
SMILESCc1ccc(NC2CC(=O)N(Cc3ccccc3)C2=O)cc1
InChIInChI=1S/C18H18N2O2/c1-13-7-9-15(10-8-13)19-16-11-17(21)20(18(16)22)12-14-5-3-2-4-6-14/h2-10,16,19H,11-12H2,1H3
InChIKeyZOBUJIZPZPVSGV-UHFFFAOYSA-N
XLogP2.73
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-benzyl-3-(4-methylanilino)pyrrolidine-2,5-dione?
The IUPAC name of 1-benzyl-3-(4-methylanilino)pyrrolidine-2,5-dione (CID 2975004) is 1-benzyl-3-(4-methylanilino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-benzyl-3-(4-methylanilino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-benzyl-3-(4-methylanilino)pyrrolidine-2,5-dione is Cc1ccc(NC2CC(=O)N(Cc3ccccc3)C2=O)cc1.
What is the InChIKey of 1-benzyl-3-(4-methylanilino)pyrrolidine-2,5-dione?
The InChIKey is ZOBUJIZPZPVSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-13-7-9-15(10-8-13)19-16-11-17(21)20(18(16)22)12-14-5-3-2-4-6-14/h2-10,16,19H,11-12H2,1H3.
What are the key properties of 1-benzyl-3-(4-methylanilino)pyrrolidine-2,5-dione?
1-benzyl-3-(4-methylanilino)pyrrolidine-2,5-dione has a molecular weight of 294.35 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(4-methylanilino)pyrrolidine-2,5-dione is sourced from PubChem (CID 2975004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).