N-(2,5-dimethylphenyl)-2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]acetamide

C22H24N2O4 — CID 84572638

IUPACN-(2,5-dimethylphenyl)-2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]acetamide
SMILESCc1ccc(C)c(NC(=O)COCC(C)(C)N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C22H24N2O4/c1-14-9-10-15(2)18(11-14)23-19(25)12-28-13-22(3,4)24-20(26)16-7-5-6-8-17(16)21(24)27/h5-11H,12-13H2,1-4H3,(H,23,25)
InChIKeyQGJRETIDPLFZSW-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.33
Rot. Bonds6

About N-(2,5-dimethylphenyl)-2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]acetamide

N-(2,5-dimethylphenyl)-2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]acetamide (PubChem CID 84572638) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]acetamide
PubChem CID84572638
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC NameN-(2,5-dimethylphenyl)-2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]acetamide
SMILESCc1ccc(C)c(NC(=O)COCC(C)(C)N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C22H24N2O4/c1-14-9-10-15(2)18(11-14)23-19(25)12-28-13-22(3,4)24-20(26)16-7-5-6-8-17(16)21(24)27/h5-11H,12-13H2,1-4H3,(H,23,25)
InChIKeyQGJRETIDPLFZSW-UHFFFAOYSA-N
XLogP3.33
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.33
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

N-(2,4-dimethylphenyl)-2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]acetamide
CID 84572606
2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]-N-(2-ethoxyphenyl)acetamide
CID 84572610
N-(2,5-dimethoxyphenyl)-2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]acetamide
CID 84572626
N-butyl-2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]acetamide
CID 84572770
2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]-N-(1,3-thiazol-2-yl)acetamide
CID 84572829
methyl 2-[[2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 84572111
[2-(2,5-dimethylanilino)-2-oxoethyl] (2R)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
CID 1404123
N-(2,5-dimethylphenyl)-6-(1,3-dioxoisoindol-2-yl)hexanamide
CID 3354455
[2-(2,5-dimethylanilino)-2-oxoethyl] 2-(methylamino)benzoate
CID 2542958
N-[5-(1,3-dioxoisoindol-2-yl)-2-methylphenyl]-2-phenoxyacetamide
CID 110352302
[2-(2,5-dimethylanilino)-2-oxoethyl] (2S)-2-phenoxypropanoate
CID 7833735
2-(2,4-ditert-butylphenoxy)-N-(2,5-dimethylphenyl)acetamide
CID 17356490

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]acetamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]acetamide (CID 84572638) is N-(2,5-dimethylphenyl)-2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]acetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]acetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]acetamide is Cc1ccc(C)c(NC(=O)COCC(C)(C)N2C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]acetamide?
The InChIKey is QGJRETIDPLFZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-14-9-10-15(2)18(11-14)23-19(25)12-28-13-22(3,4)24-20(26)16-7-5-6-8-17(16)21(24)27/h5-11H,12-13H2,1-4H3,(H,23,25).
What are the key properties of N-(2,5-dimethylphenyl)-2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]acetamide?
N-(2,5-dimethylphenyl)-2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]acetamide has a molecular weight of 380.44 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]acetamide is sourced from PubChem (CID 84572638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).