2-(2-tert-butylphenoxy)-N-(4-hydroxyphenyl)acetamide

C18H21NO3 — CID 2975850

IUPAC2-(2-tert-butylphenoxy)-N-(4-hydroxyphenyl)acetamide
SMILESCC(C)(C)c1ccccc1OCC(=O)Nc1ccc(O)cc1
InChIInChI=1S/C18H21NO3/c1-18(2,3)15-6-4-5-7-16(15)22-12-17(21)19-13-8-10-14(20)11-9-13/h4-11,20H,12H2,1-3H3,(H,19,21)
InChIKeyRUNXUUCDTNJFME-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.71
Rot. Bonds4

About 2-(2-tert-butylphenoxy)-N-(4-hydroxyphenyl)acetamide

2-(2-tert-butylphenoxy)-N-(4-hydroxyphenyl)acetamide (PubChem CID 2975850) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-(2-tert-butylphenoxy)-N-(4-hydroxyphenyl)acetamide.

Molecular Properties

Compound Name2-(2-tert-butylphenoxy)-N-(4-hydroxyphenyl)acetamide
PubChem CID2975850
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name2-(2-tert-butylphenoxy)-N-(4-hydroxyphenyl)acetamide
SMILESCC(C)(C)c1ccccc1OCC(=O)Nc1ccc(O)cc1
InChIInChI=1S/C18H21NO3/c1-18(2,3)15-6-4-5-7-16(15)22-12-17(21)19-13-8-10-14(20)11-9-13/h4-11,20H,12H2,1-3H3,(H,19,21)
InChIKeyRUNXUUCDTNJFME-UHFFFAOYSA-N
XLogP3.71
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylphenoxy)-N-(4-hydroxyphenyl)acetamide?
The IUPAC name of 2-(2-tert-butylphenoxy)-N-(4-hydroxyphenyl)acetamide (CID 2975850) is 2-(2-tert-butylphenoxy)-N-(4-hydroxyphenyl)acetamide.
What is the SMILES notation for 2-(2-tert-butylphenoxy)-N-(4-hydroxyphenyl)acetamide?
The canonical SMILES for 2-(2-tert-butylphenoxy)-N-(4-hydroxyphenyl)acetamide is CC(C)(C)c1ccccc1OCC(=O)Nc1ccc(O)cc1.
What is the InChIKey of 2-(2-tert-butylphenoxy)-N-(4-hydroxyphenyl)acetamide?
The InChIKey is RUNXUUCDTNJFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-18(2,3)15-6-4-5-7-16(15)22-12-17(21)19-13-8-10-14(20)11-9-13/h4-11,20H,12H2,1-3H3,(H,19,21).
What are the key properties of 2-(2-tert-butylphenoxy)-N-(4-hydroxyphenyl)acetamide?
2-(2-tert-butylphenoxy)-N-(4-hydroxyphenyl)acetamide has a molecular weight of 299.37 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylphenoxy)-N-(4-hydroxyphenyl)acetamide is sourced from PubChem (CID 2975850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).