(3R)-3-(4-methylanilino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione

C20H22N2O3 — CID 7025063

IUPAC(3R)-3-(4-methylanilino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
SMILESCCCOc1ccc(N2C(=O)C[C@@H](Nc3ccc(C)cc3)C2=O)cc1
InChIInChI=1S/C20H22N2O3/c1-3-12-25-17-10-8-16(9-11-17)22-19(23)13-18(20(22)24)21-15-6-4-14(2)5-7-15/h4-11,18,21H,3,12-13H2,1-2H3/t18-/m1/s1
InChIKeyOQJUBQCOMFDOJY-GOSISDBHSA-N
MW338.41 g/mol
LogP3.53
Rot. Bonds6

About (3R)-3-(4-methylanilino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione

(3R)-3-(4-methylanilino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione (PubChem CID 7025063) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is (3R)-3-(4-methylanilino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-(4-methylanilino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
PubChem CID7025063
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name(3R)-3-(4-methylanilino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
SMILESCCCOc1ccc(N2C(=O)C[C@@H](Nc3ccc(C)cc3)C2=O)cc1
InChIInChI=1S/C20H22N2O3/c1-3-12-25-17-10-8-16(9-11-17)22-19(23)13-18(20(22)24)21-15-6-4-14(2)5-7-15/h4-11,18,21H,3,12-13H2,1-2H3/t18-/m1/s1
InChIKeyOQJUBQCOMFDOJY-GOSISDBHSA-N
XLogP3.53
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-(4-methylsulfanylanilino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
CID 51659053
(3R)-3-(4-ethylanilino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
CID 7928162
(3R)-3-(3-chloroanilino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
CID 7410238
3-(4-ethoxyanilino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 3367041
3-[3-[[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]amino]propylamino]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
CID 4302030
(3S)-3-(cyclopropylamino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
CID 92693012
(3R)-3-(4-methylanilino)-1-(2-propoxyphenyl)pyrrolidine-2,5-dione
CID 2274438
3-(3-hydroxypropylamino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
CID 3720152
(3S)-1-[4-(difluoromethylsulfanyl)phenyl]-3-(4-ethoxyanilino)pyrrolidine-2,5-dione
CID 2242272
(3R)-1-(2,4-dimethylphenyl)-3-(4-ethoxyanilino)pyrrolidine-2,5-dione
CID 2397103
1-(3,4-dichlorophenyl)-3-(4-ethoxyanilino)pyrrolidine-2,5-dione
CID 2877269
1-(2,4-dimethylphenyl)-3-(4-ethoxyanilino)pyrrolidine-2,5-dione
CID 3401252

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-methylanilino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione?
The IUPAC name of (3R)-3-(4-methylanilino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione (CID 7025063) is (3R)-3-(4-methylanilino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-3-(4-methylanilino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-3-(4-methylanilino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione is CCCOc1ccc(N2C(=O)C[C@@H](Nc3ccc(C)cc3)C2=O)cc1.
What is the InChIKey of (3R)-3-(4-methylanilino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione?
The InChIKey is OQJUBQCOMFDOJY-GOSISDBHSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-3-12-25-17-10-8-16(9-11-17)22-19(23)13-18(20(22)24)21-15-6-4-14(2)5-7-15/h4-11,18,21H,3,12-13H2,1-2H3/t18-/m1/s1.
What are the key properties of (3R)-3-(4-methylanilino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione?
(3R)-3-(4-methylanilino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione has a molecular weight of 338.41 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-methylanilino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 7025063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).