3-[(3,5-dimethylphenyl)methyl]-1-(4-methylphenyl)pyrrolidine-2,5-dione

C20H21NO2 — CID 2974536

IUPAC3-[(3,5-dimethylphenyl)methyl]-1-(4-methylphenyl)pyrrolidine-2,5-dione
SMILESCc1ccc(N2C(=O)CC(Cc3cc(C)cc(C)c3)C2=O)cc1
InChIInChI=1S/C20H21NO2/c1-13-4-6-18(7-5-13)21-19(22)12-17(20(21)23)11-16-9-14(2)8-15(3)10-16/h4-10,17H,11-12H2,1-3H3
InChIKeyQBYXYSJBOPZARN-UHFFFAOYSA-N
MW307.39 g/mol
LogP3.73
Rot. Bonds3

About 3-[(3,5-dimethylphenyl)methyl]-1-(4-methylphenyl)pyrrolidine-2,5-dione

3-[(3,5-dimethylphenyl)methyl]-1-(4-methylphenyl)pyrrolidine-2,5-dione (PubChem CID 2974536) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is 3-[(3,5-dimethylphenyl)methyl]-1-(4-methylphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(3,5-dimethylphenyl)methyl]-1-(4-methylphenyl)pyrrolidine-2,5-dione
PubChem CID2974536
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC Name3-[(3,5-dimethylphenyl)methyl]-1-(4-methylphenyl)pyrrolidine-2,5-dione
SMILESCc1ccc(N2C(=O)CC(Cc3cc(C)cc(C)c3)C2=O)cc1
InChIInChI=1S/C20H21NO2/c1-13-4-6-18(7-5-13)21-19(22)12-17(20(21)23)11-16-9-14(2)8-15(3)10-16/h4-10,17H,11-12H2,1-3H3
InChIKeyQBYXYSJBOPZARN-UHFFFAOYSA-N
XLogP3.73
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethylphenyl)methyl]-1-(4-methylphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-[(3,5-dimethylphenyl)methyl]-1-(4-methylphenyl)pyrrolidine-2,5-dione (CID 2974536) is 3-[(3,5-dimethylphenyl)methyl]-1-(4-methylphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(3,5-dimethylphenyl)methyl]-1-(4-methylphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-[(3,5-dimethylphenyl)methyl]-1-(4-methylphenyl)pyrrolidine-2,5-dione is Cc1ccc(N2C(=O)CC(Cc3cc(C)cc(C)c3)C2=O)cc1.
What is the InChIKey of 3-[(3,5-dimethylphenyl)methyl]-1-(4-methylphenyl)pyrrolidine-2,5-dione?
The InChIKey is QBYXYSJBOPZARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2/c1-13-4-6-18(7-5-13)21-19(22)12-17(20(21)23)11-16-9-14(2)8-15(3)10-16/h4-10,17H,11-12H2,1-3H3.
What are the key properties of 3-[(3,5-dimethylphenyl)methyl]-1-(4-methylphenyl)pyrrolidine-2,5-dione?
3-[(3,5-dimethylphenyl)methyl]-1-(4-methylphenyl)pyrrolidine-2,5-dione has a molecular weight of 307.39 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethylphenyl)methyl]-1-(4-methylphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 2974536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).