N-(3,5-ditert-butyl-4-hydroxyphenyl)acetamide

C16H25NO2 — CID 884872

IUPACN-(3,5-ditert-butyl-4-hydroxyphenyl)acetamide
SMILESCC(=O)Nc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C16H25NO2/c1-10(18)17-11-8-12(15(2,3)4)14(19)13(9-11)16(5,6)7/h8-9,19H,1-7H3,(H,17,18)
InChIKeyJLWOLQCRSHKHEI-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.95
Rot. Bonds1

About N-(3,5-ditert-butyl-4-hydroxyphenyl)acetamide

N-(3,5-ditert-butyl-4-hydroxyphenyl)acetamide (PubChem CID 884872) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-(3,5-ditert-butyl-4-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-(3,5-ditert-butyl-4-hydroxyphenyl)acetamide
PubChem CID884872
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-(3,5-ditert-butyl-4-hydroxyphenyl)acetamide
SMILESCC(=O)Nc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C16H25NO2/c1-10(18)17-11-8-12(15(2,3)4)14(19)13(9-11)16(5,6)7/h8-9,19H,1-7H3,(H,17,18)
InChIKeyJLWOLQCRSHKHEI-UHFFFAOYSA-N
XLogP3.95
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-ditert-butyl-4-hydroxyphenyl)acetamide?
The IUPAC name of N-(3,5-ditert-butyl-4-hydroxyphenyl)acetamide (CID 884872) is N-(3,5-ditert-butyl-4-hydroxyphenyl)acetamide.
What is the SMILES notation for N-(3,5-ditert-butyl-4-hydroxyphenyl)acetamide?
The canonical SMILES for N-(3,5-ditert-butyl-4-hydroxyphenyl)acetamide is CC(=O)Nc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.
What is the InChIKey of N-(3,5-ditert-butyl-4-hydroxyphenyl)acetamide?
The InChIKey is JLWOLQCRSHKHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-10(18)17-11-8-12(15(2,3)4)14(19)13(9-11)16(5,6)7/h8-9,19H,1-7H3,(H,17,18).
What are the key properties of N-(3,5-ditert-butyl-4-hydroxyphenyl)acetamide?
N-(3,5-ditert-butyl-4-hydroxyphenyl)acetamide has a molecular weight of 263.38 g/mol, XLogP of 3.95, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-ditert-butyl-4-hydroxyphenyl)acetamide is sourced from PubChem (CID 884872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).