3-(3,5-dimethylanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione

C19H20N2O3 — CID 78665094

IUPAC3-(3,5-dimethylanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
SMILESCOc1cccc(N2C(=O)CC(Nc3cc(C)cc(C)c3)C2=O)c1
InChIInChI=1S/C19H20N2O3/c1-12-7-13(2)9-14(8-12)20-17-11-18(22)21(19(17)23)15-5-4-6-16(10-15)24-3/h4-10,17,20H,11H2,1-3H3
InChIKeyNLBMFTNRFPQGHO-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.06
Rot. Bonds4

About 3-(3,5-dimethylanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione

3-(3,5-dimethylanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione (PubChem CID 78665094) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 3-(3,5-dimethylanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(3,5-dimethylanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
PubChem CID78665094
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name3-(3,5-dimethylanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
SMILESCOc1cccc(N2C(=O)CC(Nc3cc(C)cc(C)c3)C2=O)c1
InChIInChI=1S/C19H20N2O3/c1-12-7-13(2)9-14(8-12)20-17-11-18(22)21(19(17)23)15-5-4-6-16(10-15)24-3/h4-10,17,20H,11H2,1-3H3
InChIKeyNLBMFTNRFPQGHO-UHFFFAOYSA-N
XLogP3.06
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.06
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

(3R)-3-(4-methoxyanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 691645
(3S)-3-(3-chloroanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 51860110
(3S)-3-(3,4-dichloroanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 51860115
(3R)-3-(3-methoxyanilino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 27523345
4-[[(3R)-1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino]benzoic acid
CID 8891417
1-(3-bromophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione
CID 2858838
1-(3-chlorophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione
CID 2841108
1-(3,4-dichlorophenyl)-3-(3-methoxyanilino)pyrrolidine-2,5-dione
CID 3928283
(3R)-3-(2-chloroanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 98188137
3-(4-methylanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione
CID 19163694
(3R)-3-(4-methylanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione
CID 92528251
1-(4-ethylphenyl)-3-(3-methoxyanilino)pyrrolidine-2,5-dione
CID 43844549

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(3,5-dimethylanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione (CID 78665094) is 3-(3,5-dimethylanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(3,5-dimethylanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(3,5-dimethylanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione is COc1cccc(N2C(=O)CC(Nc3cc(C)cc(C)c3)C2=O)c1.
What is the InChIKey of 3-(3,5-dimethylanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione?
The InChIKey is NLBMFTNRFPQGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-12-7-13(2)9-14(8-12)20-17-11-18(22)21(19(17)23)15-5-4-6-16(10-15)24-3/h4-10,17,20H,11H2,1-3H3.
What are the key properties of 3-(3,5-dimethylanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione?
3-(3,5-dimethylanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione has a molecular weight of 324.38 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 78665094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).