1-[2-(3,4-dimethylphenyl)-2-(methylamino)ethyl]-3,4-dimethylpyrrolidine-2,5-dione

C17H24N2O2 — CID 79178951

IUPAC1-[2-(3,4-dimethylphenyl)-2-(methylamino)ethyl]-3,4-dimethylpyrrolidine-2,5-dione
SMILESCNC(CN1C(=O)C(C)C(C)C1=O)c1ccc(C)c(C)c1
InChIInChI=1S/C17H24N2O2/c1-10-6-7-14(8-11(10)2)15(18-5)9-19-16(20)12(3)13(4)17(19)21/h6-8,12-13,15,18H,9H2,1-5H3
InChIKeyCLDOUHWVWXSBEG-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.20
Rot. Bonds4

About 1-[2-(3,4-dimethylphenyl)-2-(methylamino)ethyl]-3,4-dimethylpyrrolidine-2,5-dione

1-[2-(3,4-dimethylphenyl)-2-(methylamino)ethyl]-3,4-dimethylpyrrolidine-2,5-dione (PubChem CID 79178951) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-[2-(3,4-dimethylphenyl)-2-(methylamino)ethyl]-3,4-dimethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-(3,4-dimethylphenyl)-2-(methylamino)ethyl]-3,4-dimethylpyrrolidine-2,5-dione
PubChem CID79178951
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-[2-(3,4-dimethylphenyl)-2-(methylamino)ethyl]-3,4-dimethylpyrrolidine-2,5-dione
SMILESCNC(CN1C(=O)C(C)C(C)C1=O)c1ccc(C)c(C)c1
InChIInChI=1S/C17H24N2O2/c1-10-6-7-14(8-11(10)2)15(18-5)9-19-16(20)12(3)13(4)17(19)21/h6-8,12-13,15,18H,9H2,1-5H3
InChIKeyCLDOUHWVWXSBEG-UHFFFAOYSA-N
XLogP2.20
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[2-(3,4-dimethylphenyl)-2-(methylamino)ethyl]-3,4-dimethylpyrrolidine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-(3,4-dimethylphenyl)-2-(methylamino)ethanol
CID 93471271
2-(3,4-dimethoxypyrrolidin-1-yl)-1-(3,4-dimethylphenyl)-N-methylethanamine
CID 103532454
3-(3,4-dimethylphenyl)-3-(methylamino)propanoic acid
CID 65236773
2-(4,5-dimethylimidazol-1-yl)-1-(3,4-dimethylphenyl)-N-methylethanamine
CID 62349856
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-(3,4-dimethylphenyl)-N-methylethanamine
CID 82752329
1-[2-(3,4-dimethylphenyl)-2-(ethylamino)ethyl]-4-methylpyrrolidin-2-one
CID 63104056
1-(3,4-dimethylphenyl)-2-(2,2-dimethylpyrrolidin-1-yl)-N-methylethanamine
CID 63220037
1-(3,4-dimethylphenyl)-2-(3,5-dimethylphenyl)-N-methylethanamine
CID 63416604
2-(2,5-difluorophenyl)-1-(3,4-dimethylphenyl)-N-methylethanamine
CID 115809738
2-cyclohexylsulfonyl-1-(3,4-dimethylphenyl)-N-methylethanamine
CID 64675399
1-(3,4-dimethylphenyl)-N-methyl-2-(3-methylbutylsulfonyl)ethanamine
CID 107760365
1-[2-(3,4-dimethylphenyl)-2-(propylamino)ethyl]pyridin-4-one
CID 62879481

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethylphenyl)-2-(methylamino)ethyl]-3,4-dimethylpyrrolidine-2,5-dione?
The IUPAC name of 1-[2-(3,4-dimethylphenyl)-2-(methylamino)ethyl]-3,4-dimethylpyrrolidine-2,5-dione (CID 79178951) is 1-[2-(3,4-dimethylphenyl)-2-(methylamino)ethyl]-3,4-dimethylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-(3,4-dimethylphenyl)-2-(methylamino)ethyl]-3,4-dimethylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-(3,4-dimethylphenyl)-2-(methylamino)ethyl]-3,4-dimethylpyrrolidine-2,5-dione is CNC(CN1C(=O)C(C)C(C)C1=O)c1ccc(C)c(C)c1.
What is the InChIKey of 1-[2-(3,4-dimethylphenyl)-2-(methylamino)ethyl]-3,4-dimethylpyrrolidine-2,5-dione?
The InChIKey is CLDOUHWVWXSBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-10-6-7-14(8-11(10)2)15(18-5)9-19-16(20)12(3)13(4)17(19)21/h6-8,12-13,15,18H,9H2,1-5H3.
What are the key properties of 1-[2-(3,4-dimethylphenyl)-2-(methylamino)ethyl]-3,4-dimethylpyrrolidine-2,5-dione?
1-[2-(3,4-dimethylphenyl)-2-(methylamino)ethyl]-3,4-dimethylpyrrolidine-2,5-dione has a molecular weight of 288.39 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethylphenyl)-2-(methylamino)ethyl]-3,4-dimethylpyrrolidine-2,5-dione is sourced from PubChem (CID 79178951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).