N-(3,5-ditert-butyl-2-hydroxyphenyl)benzamide

C21H27NO2 — CID 10268212

IUPACN-(3,5-ditert-butyl-2-hydroxyphenyl)benzamide
SMILESCC(C)(C)c1cc(NC(=O)c2ccccc2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C21H27NO2/c1-20(2,3)15-12-16(21(4,5)6)18(23)17(13-15)22-19(24)14-10-8-7-9-11-14/h7-13,23H,1-6H3,(H,22,24)
InChIKeyNXHWVRDWLBYDJD-UHFFFAOYSA-N
MW325.45 g/mol
LogP5.24
Rot. Bonds2

About N-(3,5-ditert-butyl-2-hydroxyphenyl)benzamide

N-(3,5-ditert-butyl-2-hydroxyphenyl)benzamide (PubChem CID 10268212) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is N-(3,5-ditert-butyl-2-hydroxyphenyl)benzamide.

Molecular Properties

Compound NameN-(3,5-ditert-butyl-2-hydroxyphenyl)benzamide
PubChem CID10268212
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC NameN-(3,5-ditert-butyl-2-hydroxyphenyl)benzamide
SMILESCC(C)(C)c1cc(NC(=O)c2ccccc2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C21H27NO2/c1-20(2,3)15-12-16(21(4,5)6)18(23)17(13-15)22-19(24)14-10-8-7-9-11-14/h7-13,23H,1-6H3,(H,22,24)
InChIKeyNXHWVRDWLBYDJD-UHFFFAOYSA-N
XLogP5.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.45
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 79419
3-(4-Hydroxy-3,5-diisopropylbenzylidene)indolin-2-one
CID 10426229
N-(2-hydroxy-5-phenylphenyl)-4-{[(2-phenylethyl)amino]methyl}benzamide
CID 25158538
N-(2-hydroxy-5-phenylphenyl)-4-{[(2-methylpropyl)amino]methyl}benzamide
CID 25158540
N-(4-hydroxybiphenyl-3-yl)benzamide
CID 44454650
N-(2-hydroxyphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 2849603
2-Hexyl-N-(2-hydroxy-5-methylphenyl)decanamide
CID 58720637
N-{[(2-hydroxy-3,5-dimethylphenyl)amino]carbonothioyl}-2-phenylacetamide
CID 798461
N-(2-hydroxy-5-methylphenyl)cyclohexanecarboxamide
CID 849113
2'-{[(2-Hydroxy-5-methylphenyl)amino]carbonyl}-2-biphenylcarboxylic acid
CID 974840
Benzamide, 2-hydroxy-N-(2-hydroxyphenyl)-
CID 943655
N-[4-hydroxy-3,5-di(propan-2-yl)phenyl]benzamide
CID 1548109

Frequently Asked Questions

What is the IUPAC name of N-(3,5-ditert-butyl-2-hydroxyphenyl)benzamide?
The IUPAC name of N-(3,5-ditert-butyl-2-hydroxyphenyl)benzamide (CID 10268212) is N-(3,5-ditert-butyl-2-hydroxyphenyl)benzamide.
What is the SMILES notation for N-(3,5-ditert-butyl-2-hydroxyphenyl)benzamide?
The canonical SMILES for N-(3,5-ditert-butyl-2-hydroxyphenyl)benzamide is CC(C)(C)c1cc(NC(=O)c2ccccc2)c(O)c(C(C)(C)C)c1.
What is the InChIKey of N-(3,5-ditert-butyl-2-hydroxyphenyl)benzamide?
The InChIKey is NXHWVRDWLBYDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2/c1-20(2,3)15-12-16(21(4,5)6)18(23)17(13-15)22-19(24)14-10-8-7-9-11-14/h7-13,23H,1-6H3,(H,22,24).
What are the key properties of N-(3,5-ditert-butyl-2-hydroxyphenyl)benzamide?
N-(3,5-ditert-butyl-2-hydroxyphenyl)benzamide has a molecular weight of 325.45 g/mol, XLogP of 5.24, 2 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-2-hydroxyphenyl)benzamide is sourced from PubChem (CID 10268212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).