2-(2-butan-2-ylphenoxy)-N-(1,3-dioxoisoindol-2-yl)acetamide

C20H20N2O4 — CID 2900575

IUPAC2-(2-butan-2-ylphenoxy)-N-(1,3-dioxoisoindol-2-yl)acetamide
SMILESCCC(C)c1ccccc1OCC(=O)NN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C20H20N2O4/c1-3-13(2)14-8-6-7-11-17(14)26-12-18(23)21-22-19(24)15-9-4-5-10-16(15)20(22)25/h4-11,13H,3,12H2,1-2H3,(H,21,23)
InChIKeyAUSBYSZNRJGFHY-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.91
Rot. Bonds6

About 2-(2-butan-2-ylphenoxy)-N-(1,3-dioxoisoindol-2-yl)acetamide

2-(2-butan-2-ylphenoxy)-N-(1,3-dioxoisoindol-2-yl)acetamide (PubChem CID 2900575) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is 2-(2-butan-2-ylphenoxy)-N-(1,3-dioxoisoindol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-butan-2-ylphenoxy)-N-(1,3-dioxoisoindol-2-yl)acetamide
PubChem CID2900575
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name2-(2-butan-2-ylphenoxy)-N-(1,3-dioxoisoindol-2-yl)acetamide
SMILESCCC(C)c1ccccc1OCC(=O)NN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C20H20N2O4/c1-3-13(2)14-8-6-7-11-17(14)26-12-18(23)21-22-19(24)15-9-4-5-10-16(15)20(22)25/h4-11,13H,3,12H2,1-2H3,(H,21,23)
InChIKeyAUSBYSZNRJGFHY-UHFFFAOYSA-N
XLogP2.91
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2-butan-2-ylphenoxy)-N-(1,3-dioxoisoindol-2-yl)acetamide 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

N-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-2-(4-methoxyphenyl)acetamide
CID 879404
N-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-2-(2-methoxyphenyl)acetamide
CID 882882
N-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-2-(2-isopropylphenoxy)acetamide
CID 965730
2-(2,4-dimethylphenoxy)-N-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetamide
CID 969138
(3,5-Dimethyl-phenoxy)-acetic acid N'-[2-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-acetyl]-hydrazide
CID 1115990
2-(2-bromo-4-isopropylphenoxy)-N-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetamide
CID 2214258
N-(1,3-dioxooctahydro-2H-isoindol-2-yl)-2-ethoxybenzamide
CID 5072859
N-(1,3-dioxoisoindol-2-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 2139657
2-(1,4-dioxo-3H-phthalazin-2-yl)-N'-[2-(2-methylphenoxy)acetyl]acetohydrazide
CID 4851120
Cambridge id 6974443
CID 802241
2-(3,5-dimethylphenoxy)-N-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetamide
CID 833615
2-(4-Chloro-2-methylphenoxy)-N-(1,3-dioxoisoindolin-2-yl)propanamide
CID 3251438

Frequently Asked Questions

What is the IUPAC name of 2-(2-butan-2-ylphenoxy)-N-(1,3-dioxoisoindol-2-yl)acetamide?
The IUPAC name of 2-(2-butan-2-ylphenoxy)-N-(1,3-dioxoisoindol-2-yl)acetamide (CID 2900575) is 2-(2-butan-2-ylphenoxy)-N-(1,3-dioxoisoindol-2-yl)acetamide.
What is the SMILES notation for 2-(2-butan-2-ylphenoxy)-N-(1,3-dioxoisoindol-2-yl)acetamide?
The canonical SMILES for 2-(2-butan-2-ylphenoxy)-N-(1,3-dioxoisoindol-2-yl)acetamide is CCC(C)c1ccccc1OCC(=O)NN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(2-butan-2-ylphenoxy)-N-(1,3-dioxoisoindol-2-yl)acetamide?
The InChIKey is AUSBYSZNRJGFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-3-13(2)14-8-6-7-11-17(14)26-12-18(23)21-22-19(24)15-9-4-5-10-16(15)20(22)25/h4-11,13H,3,12H2,1-2H3,(H,21,23).
What are the key properties of 2-(2-butan-2-ylphenoxy)-N-(1,3-dioxoisoindol-2-yl)acetamide?
2-(2-butan-2-ylphenoxy)-N-(1,3-dioxoisoindol-2-yl)acetamide has a molecular weight of 352.39 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butan-2-ylphenoxy)-N-(1,3-dioxoisoindol-2-yl)acetamide is sourced from PubChem (CID 2900575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).