4-tert-butyl-N-(4-hydroxyphenyl)benzamide

C17H19NO2 — CID 667621

IUPAC4-tert-butyl-N-(4-hydroxyphenyl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccc(O)cc2)cc1
InChIInChI=1S/C17H19NO2/c1-17(2,3)13-6-4-12(5-7-13)16(20)18-14-8-10-15(19)11-9-14/h4-11,19H,1-3H3,(H,18,20)
InChIKeyNFTXIJBCWDLMMC-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.94
Rot. Bonds2

About 4-tert-butyl-N-(4-hydroxyphenyl)benzamide

4-tert-butyl-N-(4-hydroxyphenyl)benzamide (PubChem CID 667621) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 4-tert-butyl-N-(4-hydroxyphenyl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(4-hydroxyphenyl)benzamide
PubChem CID667621
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name4-tert-butyl-N-(4-hydroxyphenyl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccc(O)cc2)cc1
InChIInChI=1S/C17H19NO2/c1-17(2,3)13-6-4-12(5-7-13)16(20)18-14-8-10-15(19)11-9-14/h4-11,19H,1-3H3,(H,18,20)
InChIKeyNFTXIJBCWDLMMC-UHFFFAOYSA-N
XLogP3.94
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.94
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 4-tert-butyl-N-(4-hydroxyphenyl)benzamide?
The IUPAC name of 4-tert-butyl-N-(4-hydroxyphenyl)benzamide (CID 667621) is 4-tert-butyl-N-(4-hydroxyphenyl)benzamide.
What is the SMILES notation for 4-tert-butyl-N-(4-hydroxyphenyl)benzamide?
The canonical SMILES for 4-tert-butyl-N-(4-hydroxyphenyl)benzamide is CC(C)(C)c1ccc(C(=O)Nc2ccc(O)cc2)cc1.
What is the InChIKey of 4-tert-butyl-N-(4-hydroxyphenyl)benzamide?
The InChIKey is NFTXIJBCWDLMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-17(2,3)13-6-4-12(5-7-13)16(20)18-14-8-10-15(19)11-9-14/h4-11,19H,1-3H3,(H,18,20).
What are the key properties of 4-tert-butyl-N-(4-hydroxyphenyl)benzamide?
4-tert-butyl-N-(4-hydroxyphenyl)benzamide has a molecular weight of 269.34 g/mol, XLogP of 3.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(4-hydroxyphenyl)benzamide is sourced from PubChem (CID 667621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).