N-(1,3-dioxoisoindol-2-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide

C20H20N2O4 — CID 2139657

IUPACN-(1,3-dioxoisoindol-2-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
SMILESCc1ccc(C(C)C)c(OCC(=O)NN2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C20H20N2O4/c1-12(2)14-9-8-13(3)10-17(14)26-11-18(23)21-22-19(24)15-6-4-5-7-16(15)20(22)25/h4-10,12H,11H2,1-3H3,(H,21,23)
InChIKeyXTSLVXXDDAIWGQ-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.82
Rot. Bonds5

About N-(1,3-dioxoisoindol-2-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide

N-(1,3-dioxoisoindol-2-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide (PubChem CID 2139657) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-(1,3-dioxoisoindol-2-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-(1,3-dioxoisoindol-2-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
PubChem CID2139657
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC NameN-(1,3-dioxoisoindol-2-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
SMILESCc1ccc(C(C)C)c(OCC(=O)NN2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C20H20N2O4/c1-12(2)14-9-8-13(3)10-17(14)26-11-18(23)21-22-19(24)15-6-4-5-7-16(15)20(22)25/h4-10,12H,11H2,1-3H3,(H,21,23)
InChIKeyXTSLVXXDDAIWGQ-UHFFFAOYSA-N
XLogP2.82
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.82
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-(2-sec-butylphenoxy)-N-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetamide
CID 2900575
N-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-2-(4-methoxyphenyl)acetamide
CID 879404
N-(1,3-dioxoisoindol-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-(6-methoxynaphthalen-2-yl)propanamide
CID 49787660
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
N-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-2-(2-naphthyloxy)acetamide
CID 832616

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxoisoindol-2-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-(1,3-dioxoisoindol-2-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide (CID 2139657) is N-(1,3-dioxoisoindol-2-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-(1,3-dioxoisoindol-2-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-(1,3-dioxoisoindol-2-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide is Cc1ccc(C(C)C)c(OCC(=O)NN2C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of N-(1,3-dioxoisoindol-2-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The InChIKey is XTSLVXXDDAIWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-12(2)14-9-8-13(3)10-17(14)26-11-18(23)21-22-19(24)15-6-4-5-7-16(15)20(22)25/h4-10,12H,11H2,1-3H3,(H,21,23).
What are the key properties of N-(1,3-dioxoisoindol-2-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
N-(1,3-dioxoisoindol-2-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide has a molecular weight of 352.39 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxoisoindol-2-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 2139657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).