2-(4-tert-butyl-2-formylphenoxy)acetamide

C13H17NO3 — CID 175660582

IUPAC2-(4-tert-butyl-2-formylphenoxy)acetamide
SMILESCC(C)(C)c1ccc(OCC(N)=O)c(C=O)c1
InChIInChI=1S/C13H17NO3/c1-13(2,3)10-4-5-11(9(6-10)7-15)17-8-12(14)16/h4-7H,8H2,1-3H3,(H2,14,16)
InChIKeyWUKKTAVXUREGEO-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.66
Rot. Bonds4

About 2-(4-tert-butyl-2-formylphenoxy)acetamide

2-(4-tert-butyl-2-formylphenoxy)acetamide (PubChem CID 175660582) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 2-(4-tert-butyl-2-formylphenoxy)acetamide.

Molecular Properties

Compound Name2-(4-tert-butyl-2-formylphenoxy)acetamide
PubChem CID175660582
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name2-(4-tert-butyl-2-formylphenoxy)acetamide
SMILESCC(C)(C)c1ccc(OCC(N)=O)c(C=O)c1
InChIInChI=1S/C13H17NO3/c1-13(2,3)10-4-5-11(9(6-10)7-15)17-8-12(14)16/h4-7H,8H2,1-3H3,(H2,14,16)
InChIKeyWUKKTAVXUREGEO-UHFFFAOYSA-N
XLogP1.66
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-2-formylphenoxy)acetamide?
The IUPAC name of 2-(4-tert-butyl-2-formylphenoxy)acetamide (CID 175660582) is 2-(4-tert-butyl-2-formylphenoxy)acetamide.
What is the SMILES notation for 2-(4-tert-butyl-2-formylphenoxy)acetamide?
The canonical SMILES for 2-(4-tert-butyl-2-formylphenoxy)acetamide is CC(C)(C)c1ccc(OCC(N)=O)c(C=O)c1.
What is the InChIKey of 2-(4-tert-butyl-2-formylphenoxy)acetamide?
The InChIKey is WUKKTAVXUREGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-13(2,3)10-4-5-11(9(6-10)7-15)17-8-12(14)16/h4-7H,8H2,1-3H3,(H2,14,16).
What are the key properties of 2-(4-tert-butyl-2-formylphenoxy)acetamide?
2-(4-tert-butyl-2-formylphenoxy)acetamide has a molecular weight of 235.28 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-2-formylphenoxy)acetamide is sourced from PubChem (CID 175660582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).