(3S)-3-(2,3-dimethylanilino)-1-(3,4-dimethylphenyl)pyrrolidine-2,5-dione

C20H22N2O2 — CID 93235170

IUPAC(3S)-3-(2,3-dimethylanilino)-1-(3,4-dimethylphenyl)pyrrolidine-2,5-dione
SMILESCc1ccc(N2C(=O)C[C@H](Nc3cccc(C)c3C)C2=O)cc1C
InChIInChI=1S/C20H22N2O2/c1-12-8-9-16(10-14(12)3)22-19(23)11-18(20(22)24)21-17-7-5-6-13(2)15(17)4/h5-10,18,21H,11H2,1-4H3/t18-/m0/s1
InChIKeyCURBTCZGGRXNBY-SFHVURJKSA-N
MW322.41 g/mol
LogP3.66
Rot. Bonds3

About (3S)-3-(2,3-dimethylanilino)-1-(3,4-dimethylphenyl)pyrrolidine-2,5-dione

(3S)-3-(2,3-dimethylanilino)-1-(3,4-dimethylphenyl)pyrrolidine-2,5-dione (PubChem CID 93235170) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is (3S)-3-(2,3-dimethylanilino)-1-(3,4-dimethylphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-3-(2,3-dimethylanilino)-1-(3,4-dimethylphenyl)pyrrolidine-2,5-dione
PubChem CID93235170
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name(3S)-3-(2,3-dimethylanilino)-1-(3,4-dimethylphenyl)pyrrolidine-2,5-dione
SMILESCc1ccc(N2C(=O)C[C@H](Nc3cccc(C)c3C)C2=O)cc1C
InChIInChI=1S/C20H22N2O2/c1-12-8-9-16(10-14(12)3)22-19(23)11-18(20(22)24)21-17-7-5-6-13(2)15(17)4/h5-10,18,21H,11H2,1-4H3/t18-/m0/s1
InChIKeyCURBTCZGGRXNBY-SFHVURJKSA-N
XLogP3.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2,3-dimethylanilino)-1-(4-fluorophenyl)pyrrolidine-2,5-dione
CID 43844748
(3R)-3-(2,6-dimethylanilino)-1-(3,4-dimethylphenyl)pyrrolidine-2,5-dione
CID 51859939
3-(2,3-dimethylanilino)-1-(3-hydroxyphenyl)pyrrolidine-2,5-dione
CID 43827326
1-(3,5-dimethylphenyl)-3-(2-methylanilino)pyrrolidine-2,5-dione
CID 138958689
(3R)-1-(2,3-dimethylphenyl)-3-(2-methylanilino)pyrrolidine-2,5-dione
CID 51859892
3-(3,4-dimethylanilino)-1-(3-fluorophenyl)pyrrolidine-2,5-dione
CID 43844727
3-[3-(2-methylanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid
CID 43827259
3-(2,5-dimethylanilino)-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 43844310
3-(2-hydroxyanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione
CID 19163658
2-hydroxy-4-[3-(2-methylanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid
CID 43826781
(3S)-3-(2,6-dimethylanilino)-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 51859832
(3S)-3-(2-chloroanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione
CID 51859864

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2,3-dimethylanilino)-1-(3,4-dimethylphenyl)pyrrolidine-2,5-dione?
The IUPAC name of (3S)-3-(2,3-dimethylanilino)-1-(3,4-dimethylphenyl)pyrrolidine-2,5-dione (CID 93235170) is (3S)-3-(2,3-dimethylanilino)-1-(3,4-dimethylphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-3-(2,3-dimethylanilino)-1-(3,4-dimethylphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-3-(2,3-dimethylanilino)-1-(3,4-dimethylphenyl)pyrrolidine-2,5-dione is Cc1ccc(N2C(=O)C[C@H](Nc3cccc(C)c3C)C2=O)cc1C.
What is the InChIKey of (3S)-3-(2,3-dimethylanilino)-1-(3,4-dimethylphenyl)pyrrolidine-2,5-dione?
The InChIKey is CURBTCZGGRXNBY-SFHVURJKSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-12-8-9-16(10-14(12)3)22-19(23)11-18(20(22)24)21-17-7-5-6-13(2)15(17)4/h5-10,18,21H,11H2,1-4H3/t18-/m0/s1.
What are the key properties of (3S)-3-(2,3-dimethylanilino)-1-(3,4-dimethylphenyl)pyrrolidine-2,5-dione?
(3S)-3-(2,3-dimethylanilino)-1-(3,4-dimethylphenyl)pyrrolidine-2,5-dione has a molecular weight of 322.41 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2,3-dimethylanilino)-1-(3,4-dimethylphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 93235170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).