3-(2,5-dioxopyrrolidin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)benzamide

C21H22N2O3 — CID 18084160

IUPAC3-(2,5-dioxopyrrolidin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)benzamide
SMILESCc1cccc(C(C)C)c1NC(=O)c1cccc(N2C(=O)CCC2=O)c1
InChIInChI=1S/C21H22N2O3/c1-13(2)17-9-4-6-14(3)20(17)22-21(26)15-7-5-8-16(12-15)23-18(24)10-11-19(23)25/h4-9,12-13H,10-11H2,1-3H3,(H,22,26)
InChIKeyHQBLWTHCBSTMAD-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.02
Rot. Bonds4

About 3-(2,5-dioxopyrrolidin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)benzamide

3-(2,5-dioxopyrrolidin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)benzamide (PubChem CID 18084160) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrolidin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)benzamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrolidin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)benzamide
PubChem CID18084160
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name3-(2,5-dioxopyrrolidin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)benzamide
SMILESCc1cccc(C(C)C)c1NC(=O)c1cccc(N2C(=O)CCC2=O)c1
InChIInChI=1S/C21H22N2O3/c1-13(2)17-9-4-6-14(3)20(17)22-21(26)15-7-5-8-16(12-15)23-18(24)10-11-19(23)25/h4-9,12-13H,10-11H2,1-3H3,(H,22,26)
InChIKeyHQBLWTHCBSTMAD-UHFFFAOYSA-N
XLogP4.02
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.02
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

N-(2,3-dimethylphenyl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 7733040
3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 20997286
[(2S)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 3-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 8732340
3-(4-methylpiperidine-1-carbonyl)-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 109052346
4-amino-3-hydroxy-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 107073896
3-(2,5-dioxopyrrolidin-1-yl)-N-(2-fluoro-4-methylphenyl)benzamide
CID 18166253
1-N-(2-methoxyethyl)-3-N-(2-methyl-6-propan-2-ylphenyl)benzene-1,3-dicarboxamide
CID 109052582
6-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyridine-3-carboxamide
CID 18148418
dimethyl 5-[[3-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]benzene-1,3-dicarboxylate
CID 55345893
3-[methyl(methylsulfonyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 50945551
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 18084540
4-(3-acetylphenyl)-N-(2-methyl-6-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113112569

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)benzamide?
The IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)benzamide (CID 18084160) is 3-(2,5-dioxopyrrolidin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)benzamide.
What is the SMILES notation for 3-(2,5-dioxopyrrolidin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)benzamide?
The canonical SMILES for 3-(2,5-dioxopyrrolidin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)benzamide is Cc1cccc(C(C)C)c1NC(=O)c1cccc(N2C(=O)CCC2=O)c1.
What is the InChIKey of 3-(2,5-dioxopyrrolidin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)benzamide?
The InChIKey is HQBLWTHCBSTMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-13(2)17-9-4-6-14(3)20(17)22-21(26)15-7-5-8-16(12-15)23-18(24)10-11-19(23)25/h4-9,12-13H,10-11H2,1-3H3,(H,22,26).
What are the key properties of 3-(2,5-dioxopyrrolidin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)benzamide?
3-(2,5-dioxopyrrolidin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)benzamide has a molecular weight of 350.42 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrolidin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)benzamide is sourced from PubChem (CID 18084160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).