3,5-ditert-butyl-4-hydroxybenzamide

C15H23NO2 — CID 616502

IUPAC3,5-ditert-butyl-4-hydroxybenzamide
SMILESCC(C)(C)c1cc(C(N)=O)cc(C(C)(C)C)c1O
InChIInChI=1S/C15H23NO2/c1-14(2,3)10-7-9(13(16)18)8-11(12(10)17)15(4,5)6/h7-8,17H,1-6H3,(H2,16,18)
InChIKeyDGZQOKRGJUFPQC-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.09
Rot. Bonds1

About 3,5-ditert-butyl-4-hydroxybenzamide

3,5-ditert-butyl-4-hydroxybenzamide (PubChem CID 616502) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 3,5-ditert-butyl-4-hydroxybenzamide.

Molecular Properties

Compound Name3,5-ditert-butyl-4-hydroxybenzamide
PubChem CID616502
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name3,5-ditert-butyl-4-hydroxybenzamide
SMILESCC(C)(C)c1cc(C(N)=O)cc(C(C)(C)C)c1O
InChIInChI=1S/C15H23NO2/c1-14(2,3)10-7-9(13(16)18)8-11(12(10)17)15(4,5)6/h7-8,17H,1-6H3,(H2,16,18)
InChIKeyDGZQOKRGJUFPQC-UHFFFAOYSA-N
XLogP3.09
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-ditert-butyl-4-hydroxybenzamide?
The IUPAC name of 3,5-ditert-butyl-4-hydroxybenzamide (CID 616502) is 3,5-ditert-butyl-4-hydroxybenzamide.
What is the SMILES notation for 3,5-ditert-butyl-4-hydroxybenzamide?
The canonical SMILES for 3,5-ditert-butyl-4-hydroxybenzamide is CC(C)(C)c1cc(C(N)=O)cc(C(C)(C)C)c1O.
What is the InChIKey of 3,5-ditert-butyl-4-hydroxybenzamide?
The InChIKey is DGZQOKRGJUFPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-14(2,3)10-7-9(13(16)18)8-11(12(10)17)15(4,5)6/h7-8,17H,1-6H3,(H2,16,18).
What are the key properties of 3,5-ditert-butyl-4-hydroxybenzamide?
3,5-ditert-butyl-4-hydroxybenzamide has a molecular weight of 249.35 g/mol, XLogP of 3.09, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-ditert-butyl-4-hydroxybenzamide is sourced from PubChem (CID 616502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).