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

C21H23NO2 — CID 2846955

IUPAC1-(2,5-dimethylphenyl)-3-[(3,5-dimethylphenyl)methyl]pyrrolidine-2,5-dione
SMILESCc1cc(C)cc(CC2CC(=O)N(c3cc(C)ccc3C)C2=O)c1
InChIInChI=1S/C21H23NO2/c1-13-5-6-16(4)19(10-13)22-20(23)12-18(21(22)24)11-17-8-14(2)7-15(3)9-17/h5-10,18H,11-12H2,1-4H3
InChIKeyJMIBHLWQHPXEQE-UHFFFAOYSA-N
MW321.42 g/mol
LogP4.04
Rot. Bonds3

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

1-(2,5-dimethylphenyl)-3-[(3,5-dimethylphenyl)methyl]pyrrolidine-2,5-dione (PubChem CID 2846955) has the molecular formula C21H23NO2 and a molecular weight of 321.42 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-3-[(3,5-dimethylphenyl)methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-3-[(3,5-dimethylphenyl)methyl]pyrrolidine-2,5-dione
PubChem CID2846955
Molecular FormulaC21H23NO2
Molecular Weight321.42 g/mol
Exact Mass321.17
IUPAC Name1-(2,5-dimethylphenyl)-3-[(3,5-dimethylphenyl)methyl]pyrrolidine-2,5-dione
SMILESCc1cc(C)cc(CC2CC(=O)N(c3cc(C)ccc3C)C2=O)c1
InChIInChI=1S/C21H23NO2/c1-13-5-6-16(4)19(10-13)22-20(23)12-18(21(22)24)11-17-8-14(2)7-15(3)9-17/h5-10,18H,11-12H2,1-4H3
InChIKeyJMIBHLWQHPXEQE-UHFFFAOYSA-N
XLogP4.04
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.04
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 1-(2,5-dimethylphenyl)-3-[(3,5-dimethylphenyl)methyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-(2,5-dimethylphenyl)-3-[(3,5-dimethylphenyl)methyl]pyrrolidine-2,5-dione (CID 2846955) is 1-(2,5-dimethylphenyl)-3-[(3,5-dimethylphenyl)methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-3-[(3,5-dimethylphenyl)methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-(2,5-dimethylphenyl)-3-[(3,5-dimethylphenyl)methyl]pyrrolidine-2,5-dione is Cc1cc(C)cc(CC2CC(=O)N(c3cc(C)ccc3C)C2=O)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-3-[(3,5-dimethylphenyl)methyl]pyrrolidine-2,5-dione?
The InChIKey is JMIBHLWQHPXEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO2/c1-13-5-6-16(4)19(10-13)22-20(23)12-18(21(22)24)11-17-8-14(2)7-15(3)9-17/h5-10,18H,11-12H2,1-4H3.
What are the key properties of 1-(2,5-dimethylphenyl)-3-[(3,5-dimethylphenyl)methyl]pyrrolidine-2,5-dione?
1-(2,5-dimethylphenyl)-3-[(3,5-dimethylphenyl)methyl]pyrrolidine-2,5-dione has a molecular weight of 321.42 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-3-[(3,5-dimethylphenyl)methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 2846955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).