2-(4-butan-2-ylphenoxy)-N-(1,3-dioxoisoindol-5-yl)acetamide

C20H20N2O4 — CID 2949508

IUPAC2-(4-butan-2-ylphenoxy)-N-(1,3-dioxoisoindol-5-yl)acetamide
SMILESCCC(C)c1ccc(OCC(=O)Nc2ccc3c(c2)C(=O)NC3=O)cc1
InChIInChI=1S/C20H20N2O4/c1-3-12(2)13-4-7-15(8-5-13)26-11-18(23)21-14-6-9-16-17(10-14)20(25)22-19(16)24/h4-10,12H,3,11H2,1-2H3,(H,21,23)(H,22,24,25)
InChIKeyCBTQWBOTQUZQAI-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.10
Rot. Bonds6

About 2-(4-butan-2-ylphenoxy)-N-(1,3-dioxoisoindol-5-yl)acetamide

2-(4-butan-2-ylphenoxy)-N-(1,3-dioxoisoindol-5-yl)acetamide (PubChem CID 2949508) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is 2-(4-butan-2-ylphenoxy)-N-(1,3-dioxoisoindol-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-butan-2-ylphenoxy)-N-(1,3-dioxoisoindol-5-yl)acetamide
PubChem CID2949508
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name2-(4-butan-2-ylphenoxy)-N-(1,3-dioxoisoindol-5-yl)acetamide
SMILESCCC(C)c1ccc(OCC(=O)Nc2ccc3c(c2)C(=O)NC3=O)cc1
InChIInChI=1S/C20H20N2O4/c1-3-12(2)13-4-7-15(8-5-13)26-11-18(23)21-14-6-9-16-17(10-14)20(25)22-19(16)24/h4-10,12H,3,11H2,1-2H3,(H,21,23)(H,22,24,25)
InChIKeyCBTQWBOTQUZQAI-UHFFFAOYSA-N
XLogP3.10
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-butan-2-ylphenoxy)-N-(1,3-dioxoisoindol-5-yl)acetamide?
The IUPAC name of 2-(4-butan-2-ylphenoxy)-N-(1,3-dioxoisoindol-5-yl)acetamide (CID 2949508) is 2-(4-butan-2-ylphenoxy)-N-(1,3-dioxoisoindol-5-yl)acetamide.
What is the SMILES notation for 2-(4-butan-2-ylphenoxy)-N-(1,3-dioxoisoindol-5-yl)acetamide?
The canonical SMILES for 2-(4-butan-2-ylphenoxy)-N-(1,3-dioxoisoindol-5-yl)acetamide is CCC(C)c1ccc(OCC(=O)Nc2ccc3c(c2)C(=O)NC3=O)cc1.
What is the InChIKey of 2-(4-butan-2-ylphenoxy)-N-(1,3-dioxoisoindol-5-yl)acetamide?
The InChIKey is CBTQWBOTQUZQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-3-12(2)13-4-7-15(8-5-13)26-11-18(23)21-14-6-9-16-17(10-14)20(25)22-19(16)24/h4-10,12H,3,11H2,1-2H3,(H,21,23)(H,22,24,25).
What are the key properties of 2-(4-butan-2-ylphenoxy)-N-(1,3-dioxoisoindol-5-yl)acetamide?
2-(4-butan-2-ylphenoxy)-N-(1,3-dioxoisoindol-5-yl)acetamide has a molecular weight of 352.39 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butan-2-ylphenoxy)-N-(1,3-dioxoisoindol-5-yl)acetamide is sourced from PubChem (CID 2949508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).