N-(2,4-dimethylphenyl)-1,3-dioxo-2-prop-2-enylisoindole-5-carboxamide

C20H18N2O3 — CID 4825497

IUPACN-(2,4-dimethylphenyl)-1,3-dioxo-2-prop-2-enylisoindole-5-carboxamide
SMILESC=CCN1C(=O)c2ccc(C(=O)Nc3ccc(C)cc3C)cc2C1=O
InChIInChI=1S/C20H18N2O3/c1-4-9-22-19(24)15-7-6-14(11-16(15)20(22)25)18(23)21-17-8-5-12(2)10-13(17)3/h4-8,10-11H,1,9H2,2-3H3,(H,21,23)
InChIKeyZJUDADYQWIPSFG-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.34
Rot. Bonds4

About N-(2,4-dimethylphenyl)-1,3-dioxo-2-prop-2-enylisoindole-5-carboxamide

N-(2,4-dimethylphenyl)-1,3-dioxo-2-prop-2-enylisoindole-5-carboxamide (PubChem CID 4825497) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-1,3-dioxo-2-prop-2-enylisoindole-5-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-1,3-dioxo-2-prop-2-enylisoindole-5-carboxamide
PubChem CID4825497
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC NameN-(2,4-dimethylphenyl)-1,3-dioxo-2-prop-2-enylisoindole-5-carboxamide
SMILESC=CCN1C(=O)c2ccc(C(=O)Nc3ccc(C)cc3C)cc2C1=O
InChIInChI=1S/C20H18N2O3/c1-4-9-22-19(24)15-7-6-14(11-16(15)20(22)25)18(23)21-17-8-5-12(2)10-13(17)3/h4-8,10-11H,1,9H2,2-3H3,(H,21,23)
InChIKeyZJUDADYQWIPSFG-UHFFFAOYSA-N
XLogP3.34
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-fluoro-2-methylphenyl)-1,3-dioxo-2-prop-2-enylisoindole-5-carboxamide
CID 9426235
N-(2,4-dimethylphenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 26915292
N-(4-fluorophenyl)-1,3-dioxo-2-prop-2-enylisoindole-5-carboxamide
CID 4825553
N-(4-methyl-1,3-thiazol-2-yl)-1,3-dioxo-2-prop-2-enylisoindole-5-carboxamide
CID 9095875
N-[(2,4-dimethylphenyl)methyl]-N-methyl-1,3-dioxo-2-prop-2-enylisoindole-5-carboxamide
CID 9228031
[2-(4-chloro-2-methylanilino)-2-oxoethyl] 1,3-dioxo-2-prop-2-enylisoindole-5-carboxylate
CID 7359802
N-(2,4-dimethylphenyl)-4-methylbenzamide
CID 774370
N-(2,4-dimethylphenyl)-2-oxo-3-prop-2-enyl-1,3-benzoxazole-5-carboxamide
CID 53067289
5-methyl-2-[[2-(2-methylpropyl)-1,3-dioxoisoindole-5-carbonyl]amino]benzoate
CID 7309248
1,3-dioxo-N-(3-propan-2-ylphenyl)-2-prop-2-enylisoindole-5-carboxamide
CID 9226822
[2-(2-methyl-4-nitroanilino)-2-oxoethyl] 1,3-dioxo-2-prop-2-enylisoindole-5-carboxylate
CID 16796544
N-(4-hydroxy-2-methylphenyl)-2-(3-methylbutyl)-1,3-dioxoisoindole-5-carboxamide
CID 17380462

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-1,3-dioxo-2-prop-2-enylisoindole-5-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-1,3-dioxo-2-prop-2-enylisoindole-5-carboxamide (CID 4825497) is N-(2,4-dimethylphenyl)-1,3-dioxo-2-prop-2-enylisoindole-5-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-1,3-dioxo-2-prop-2-enylisoindole-5-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-1,3-dioxo-2-prop-2-enylisoindole-5-carboxamide is C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(C)cc3C)cc2C1=O.
What is the InChIKey of N-(2,4-dimethylphenyl)-1,3-dioxo-2-prop-2-enylisoindole-5-carboxamide?
The InChIKey is ZJUDADYQWIPSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-4-9-22-19(24)15-7-6-14(11-16(15)20(22)25)18(23)21-17-8-5-12(2)10-13(17)3/h4-8,10-11H,1,9H2,2-3H3,(H,21,23).
What are the key properties of N-(2,4-dimethylphenyl)-1,3-dioxo-2-prop-2-enylisoindole-5-carboxamide?
N-(2,4-dimethylphenyl)-1,3-dioxo-2-prop-2-enylisoindole-5-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-1,3-dioxo-2-prop-2-enylisoindole-5-carboxamide is sourced from PubChem (CID 4825497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).