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

C21H23NO4 — CID 4601605

IUPAC1-[(3,4-dimethoxyphenyl)methyl]-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione
SMILESCOc1ccc(CN2C(=O)CC(Cc3ccc(C)cc3)C2=O)cc1OC
InChIInChI=1S/C21H23NO4/c1-14-4-6-15(7-5-14)10-17-12-20(23)22(21(17)24)13-16-8-9-18(25-2)19(11-16)26-3/h4-9,11,17H,10,12-13H2,1-3H3
InChIKeyRJBUPUKWHRLBEK-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.13
Rot. Bonds6

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

1-[(3,4-dimethoxyphenyl)methyl]-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione (PubChem CID 4601605) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is 1-[(3,4-dimethoxyphenyl)methyl]-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[(3,4-dimethoxyphenyl)methyl]-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione
PubChem CID4601605
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC Name1-[(3,4-dimethoxyphenyl)methyl]-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione
SMILESCOc1ccc(CN2C(=O)CC(Cc3ccc(C)cc3)C2=O)cc1OC
InChIInChI=1S/C21H23NO4/c1-14-4-6-15(7-5-14)10-17-12-20(23)22(21(17)24)13-16-8-9-18(25-2)19(11-16)26-3/h4-9,11,17H,10,12-13H2,1-3H3
InChIKeyRJBUPUKWHRLBEK-UHFFFAOYSA-N
XLogP3.13
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[(3,4-dimethoxyphenyl)methyl]-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[(3,4-dimethoxyphenyl)methyl]-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione (CID 4601605) is 1-[(3,4-dimethoxyphenyl)methyl]-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[(3,4-dimethoxyphenyl)methyl]-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[(3,4-dimethoxyphenyl)methyl]-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione is COc1ccc(CN2C(=O)CC(Cc3ccc(C)cc3)C2=O)cc1OC.
What is the InChIKey of 1-[(3,4-dimethoxyphenyl)methyl]-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione?
The InChIKey is RJBUPUKWHRLBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO4/c1-14-4-6-15(7-5-14)10-17-12-20(23)22(21(17)24)13-16-8-9-18(25-2)19(11-16)26-3/h4-9,11,17H,10,12-13H2,1-3H3.
What are the key properties of 1-[(3,4-dimethoxyphenyl)methyl]-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione?
1-[(3,4-dimethoxyphenyl)methyl]-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione has a molecular weight of 353.42 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethoxyphenyl)methyl]-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 4601605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).