(3R)-1-(2,4-dimethylphenyl)-3-(4-ethoxyanilino)pyrrolidine-2,5-dione

C20H22N2O3 — CID 2397103

IUPAC(3R)-1-(2,4-dimethylphenyl)-3-(4-ethoxyanilino)pyrrolidine-2,5-dione
SMILESCCOc1ccc(N[C@@H]2CC(=O)N(c3ccc(C)cc3C)C2=O)cc1
InChIInChI=1S/C20H22N2O3/c1-4-25-16-8-6-15(7-9-16)21-17-12-19(23)22(20(17)24)18-10-5-13(2)11-14(18)3/h5-11,17,21H,4,12H2,1-3H3/t17-/m1/s1
InChIKeyPPCXNIFJNDWCCX-QGZVFWFLSA-N
MW338.41 g/mol
LogP3.45
Rot. Bonds5

About (3R)-1-(2,4-dimethylphenyl)-3-(4-ethoxyanilino)pyrrolidine-2,5-dione

(3R)-1-(2,4-dimethylphenyl)-3-(4-ethoxyanilino)pyrrolidine-2,5-dione (PubChem CID 2397103) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is (3R)-1-(2,4-dimethylphenyl)-3-(4-ethoxyanilino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-(2,4-dimethylphenyl)-3-(4-ethoxyanilino)pyrrolidine-2,5-dione
PubChem CID2397103
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name(3R)-1-(2,4-dimethylphenyl)-3-(4-ethoxyanilino)pyrrolidine-2,5-dione
SMILESCCOc1ccc(N[C@@H]2CC(=O)N(c3ccc(C)cc3C)C2=O)cc1
InChIInChI=1S/C20H22N2O3/c1-4-25-16-8-6-15(7-9-16)21-17-12-19(23)22(20(17)24)18-10-5-13(2)11-14(18)3/h5-11,17,21H,4,12H2,1-3H3/t17-/m1/s1
InChIKeyPPCXNIFJNDWCCX-QGZVFWFLSA-N
XLogP3.45
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-dimethylphenyl)-3-(4-ethoxyanilino)pyrrolidine-2,5-dione
CID 3401252
1-(2,4-dimethoxyphenyl)-3-(4-ethoxyanilino)pyrrolidine-2,5-dione
CID 22332764
(3R)-1-(2-chlorophenyl)-3-(4-ethoxyanilino)pyrrolidine-2,5-dione
CID 51860269
4-[[(3S)-1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]amino]-N-(4-methoxyphenyl)benzamide
CID 2427402
3-(4-ethoxyanilino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 3367041
1-(2,4-dimethylphenyl)-3-[4-(2-methoxyanilino)anilino]pyrrolidine-2,5-dione
CID 5174295
1-(3,4-dichlorophenyl)-3-(4-ethoxyanilino)pyrrolidine-2,5-dione
CID 2877269
(3R)-3-(4-methylanilino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
CID 7025063
(3R)-1-(2,4-dimethylphenyl)-3-(1H-indol-6-ylamino)pyrrolidine-2,5-dione
CID 124560433
1-(2-ethylphenyl)-3-(4-methylanilino)pyrrolidine-2,5-dione
CID 19163695
3-(3,4-dimethylanilino)-1-(2,5-dimethylphenyl)pyrrolidine-2,5-dione
CID 43844445
3-(4-butylanilino)-1-(2,5-dimethylphenyl)pyrrolidine-2,5-dione
CID 138958684

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2,4-dimethylphenyl)-3-(4-ethoxyanilino)pyrrolidine-2,5-dione?
The IUPAC name of (3R)-1-(2,4-dimethylphenyl)-3-(4-ethoxyanilino)pyrrolidine-2,5-dione (CID 2397103) is (3R)-1-(2,4-dimethylphenyl)-3-(4-ethoxyanilino)pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-1-(2,4-dimethylphenyl)-3-(4-ethoxyanilino)pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-1-(2,4-dimethylphenyl)-3-(4-ethoxyanilino)pyrrolidine-2,5-dione is CCOc1ccc(N[C@@H]2CC(=O)N(c3ccc(C)cc3C)C2=O)cc1.
What is the InChIKey of (3R)-1-(2,4-dimethylphenyl)-3-(4-ethoxyanilino)pyrrolidine-2,5-dione?
The InChIKey is PPCXNIFJNDWCCX-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-4-25-16-8-6-15(7-9-16)21-17-12-19(23)22(20(17)24)18-10-5-13(2)11-14(18)3/h5-11,17,21H,4,12H2,1-3H3/t17-/m1/s1.
What are the key properties of (3R)-1-(2,4-dimethylphenyl)-3-(4-ethoxyanilino)pyrrolidine-2,5-dione?
(3R)-1-(2,4-dimethylphenyl)-3-(4-ethoxyanilino)pyrrolidine-2,5-dione has a molecular weight of 338.41 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2,4-dimethylphenyl)-3-(4-ethoxyanilino)pyrrolidine-2,5-dione is sourced from PubChem (CID 2397103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).