2-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-1-oxo-1-phenylpropan-2-yl)acetamide

C20H18N2O4 — CID 12678095

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-1-oxo-1-phenylpropan-2-yl)acetamide
SMILESCC(C)(NC(=O)CN1C(=O)c2ccccc2C1=O)C(=O)c1ccccc1
InChIInChI=1S/C20H18N2O4/c1-20(2,17(24)13-8-4-3-5-9-13)21-16(23)12-22-18(25)14-10-6-7-11-15(14)19(22)26/h3-11H,12H2,1-2H3,(H,21,23)
InChIKeySZWRWQSMZGJSCE-UHFFFAOYSA-N
MW350.37 g/mol
LogP2.06
Rot. Bonds5

About 2-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-1-oxo-1-phenylpropan-2-yl)acetamide

2-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-1-oxo-1-phenylpropan-2-yl)acetamide (PubChem CID 12678095) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-1-oxo-1-phenylpropan-2-yl)acetamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-1-oxo-1-phenylpropan-2-yl)acetamide
PubChem CID12678095
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-1-oxo-1-phenylpropan-2-yl)acetamide
SMILESCC(C)(NC(=O)CN1C(=O)c2ccccc2C1=O)C(=O)c1ccccc1
InChIInChI=1S/C20H18N2O4/c1-20(2,17(24)13-8-4-3-5-9-13)21-16(23)12-22-18(25)14-10-6-7-11-15(14)19(22)26/h3-11H,12H2,1-2H3,(H,21,23)
InChIKeySZWRWQSMZGJSCE-UHFFFAOYSA-N
XLogP2.06
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 52.06
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

2-(1,3-dioxoisoindol-2-yl)-N-(2,4,4-trimethylpentan-2-yl)acetamide
CID 9017592
2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-fluorophenyl)propan-2-yl]acetamide
CID 110443030
N-(tert-butylcarbamothioyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 19188920
5-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]benzene-1,3-dicarboxylic acid
CID 1248714
methyl 2-[[2-[[2-[[2-[[2-[[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetate
CID 101433212
N-(4-tert-butylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 7658806
4-[[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]carbamoyl]benzoic acid
CID 21108836
N-(3,3-dimethyl-1-phenylbutyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 55690067
2-methyl-2-[[2-(3-oxo-1H-isoindol-2-yl)acetyl]amino]propanoic acid
CID 119187853
N-(2-acetamidoethyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 110756132
2-(1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)acetamide
CID 2787083
N-(2-acetamidophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 973448

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-1-oxo-1-phenylpropan-2-yl)acetamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-1-oxo-1-phenylpropan-2-yl)acetamide (CID 12678095) is 2-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-1-oxo-1-phenylpropan-2-yl)acetamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-1-oxo-1-phenylpropan-2-yl)acetamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-1-oxo-1-phenylpropan-2-yl)acetamide is CC(C)(NC(=O)CN1C(=O)c2ccccc2C1=O)C(=O)c1ccccc1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-1-oxo-1-phenylpropan-2-yl)acetamide?
The InChIKey is SZWRWQSMZGJSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-20(2,17(24)13-8-4-3-5-9-13)21-16(23)12-22-18(25)14-10-6-7-11-15(14)19(22)26/h3-11H,12H2,1-2H3,(H,21,23).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-1-oxo-1-phenylpropan-2-yl)acetamide?
2-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-1-oxo-1-phenylpropan-2-yl)acetamide has a molecular weight of 350.37 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-1-oxo-1-phenylpropan-2-yl)acetamide is sourced from PubChem (CID 12678095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).