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

C21H23NO3 — CID 2865533

IUPAC3-[(3,5-dimethylphenyl)methyl]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
SMILESCCOc1ccc(N2C(=O)CC(Cc3cc(C)cc(C)c3)C2=O)cc1
InChIInChI=1S/C21H23NO3/c1-4-25-19-7-5-18(6-8-19)22-20(23)13-17(21(22)24)12-16-10-14(2)9-15(3)11-16/h5-11,17H,4,12-13H2,1-3H3
InChIKeyKCBSMZWAMPHSID-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.82
Rot. Bonds5

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

3-[(3,5-dimethylphenyl)methyl]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione (PubChem CID 2865533) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is 3-[(3,5-dimethylphenyl)methyl]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(3,5-dimethylphenyl)methyl]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
PubChem CID2865533
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Name3-[(3,5-dimethylphenyl)methyl]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
SMILESCCOc1ccc(N2C(=O)CC(Cc3cc(C)cc(C)c3)C2=O)cc1
InChIInChI=1S/C21H23NO3/c1-4-25-19-7-5-18(6-8-19)22-20(23)13-17(21(22)24)12-16-10-14(2)9-15(3)11-16/h5-11,17H,4,12-13H2,1-3H3
InChIKeyKCBSMZWAMPHSID-UHFFFAOYSA-N
XLogP3.82
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

AR-15512
CID 11266244
2-(4-Methoxyphenyl)-1H-isoindole-1,3(2H)-dione
CID 250687
2-cyclohexyl-N-(4-methoxyphenyl)acetamide
CID 880925
2-(4-ethoxyphenyl)-1H-isoindole-1,3(2H)-dione
CID 709445
N-(4-methoxyphenyl)-1-phenylcyclopentane-1-carboxamide
CID 838959
N-(4-methoxyphenyl)-2-phenylacetamide
CID 531989
2-(4-Ethoxyphenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
CID 203808
N-[4-(benzyloxy)phenyl]-4-(dimethylamino)butanamide
CID 24901610
2-[(3R,4R)-4-benzyl-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-N-(4-methoxyphenyl)acetamide
CID 46902957
3-(2-Methoxy-benzyl)-1-phenyl-pyrrolidine-2,5-dione
CID 2868945
1-(4-Methoxyphenyl)-3-(oxolan-2-yl)pyrrolidine-2,5-dione
CID 2875807
1-(4-Methoxyphenyl)-5-oxo-2-phenylpyrrolidine-2-carboxamide
CID 2908928

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethylphenyl)methyl]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-[(3,5-dimethylphenyl)methyl]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione (CID 2865533) is 3-[(3,5-dimethylphenyl)methyl]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(3,5-dimethylphenyl)methyl]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-[(3,5-dimethylphenyl)methyl]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione is CCOc1ccc(N2C(=O)CC(Cc3cc(C)cc(C)c3)C2=O)cc1.
What is the InChIKey of 3-[(3,5-dimethylphenyl)methyl]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione?
The InChIKey is KCBSMZWAMPHSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3/c1-4-25-19-7-5-18(6-8-19)22-20(23)13-17(21(22)24)12-16-10-14(2)9-15(3)11-16/h5-11,17H,4,12-13H2,1-3H3.
What are the key properties of 3-[(3,5-dimethylphenyl)methyl]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione?
3-[(3,5-dimethylphenyl)methyl]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione has a molecular weight of 337.42 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethylphenyl)methyl]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 2865533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).