4-tert-butyl-N-[(4-hydroxyphenyl)methyl]benzamide

C18H21NO2 — CID 115577854

IUPAC4-tert-butyl-N-[(4-hydroxyphenyl)methyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCc2ccc(O)cc2)cc1
InChIInChI=1S/C18H21NO2/c1-18(2,3)15-8-6-14(7-9-15)17(21)19-12-13-4-10-16(20)11-5-13/h4-11,20H,12H2,1-3H3,(H,19,21)
InChIKeyXJLLGXPRDJVHSQ-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.62
Rot. Bonds3

About 4-tert-butyl-N-[(4-hydroxyphenyl)methyl]benzamide

4-tert-butyl-N-[(4-hydroxyphenyl)methyl]benzamide (PubChem CID 115577854) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 4-tert-butyl-N-[(4-hydroxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[(4-hydroxyphenyl)methyl]benzamide
PubChem CID115577854
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name4-tert-butyl-N-[(4-hydroxyphenyl)methyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCc2ccc(O)cc2)cc1
InChIInChI=1S/C18H21NO2/c1-18(2,3)15-8-6-14(7-9-15)17(21)19-12-13-4-10-16(20)11-5-13/h4-11,20H,12H2,1-3H3,(H,19,21)
InChIKeyXJLLGXPRDJVHSQ-UHFFFAOYSA-N
XLogP3.62
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-tert-butylphenyl)methyl]-4-methylbenzamide
CID 97423443
4-tert-butyl-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 8852512
4-tert-butyl-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]benzamide
CID 15136995
N-[(4-tert-butylphenyl)methyl]pyridine-3-carboxamide;hydrochloride
CID 110779584
5-hydroxy-N-[(4-hydroxyphenyl)methyl]pyridine-3-carboxamide
CID 115621996
3-bromo-N-[(4-hydroxyphenyl)methyl]-4-methylbenzamide
CID 115671047
4-tert-butyl-N-[(2,5-diethylphenyl)methyl]benzamide
CID 100668816
N-(1,3-benzodioxol-5-ylmethyl)-4-tert-butylbenzamide
CID 673797
N-[(4-tert-butylphenyl)methyl]-2-hydroxyacetamide
CID 69343221
4-(benzamidomethyl)benzoic acid
CID 10879683
N-[(4-hydroxyphenyl)methyl]thiophene-3-carboxamide
CID 47148514
N-[2-[(4-tert-butylbenzoyl)amino]ethyl]-3,5-dihydroxybenzamide
CID 108542011

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(4-hydroxyphenyl)methyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[(4-hydroxyphenyl)methyl]benzamide (CID 115577854) is 4-tert-butyl-N-[(4-hydroxyphenyl)methyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[(4-hydroxyphenyl)methyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[(4-hydroxyphenyl)methyl]benzamide is CC(C)(C)c1ccc(C(=O)NCc2ccc(O)cc2)cc1.
What is the InChIKey of 4-tert-butyl-N-[(4-hydroxyphenyl)methyl]benzamide?
The InChIKey is XJLLGXPRDJVHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-18(2,3)15-8-6-14(7-9-15)17(21)19-12-13-4-10-16(20)11-5-13/h4-11,20H,12H2,1-3H3,(H,19,21).
What are the key properties of 4-tert-butyl-N-[(4-hydroxyphenyl)methyl]benzamide?
4-tert-butyl-N-[(4-hydroxyphenyl)methyl]benzamide has a molecular weight of 283.37 g/mol, XLogP of 3.62, 3 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)methyl]benzamide is sourced from PubChem (CID 115577854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).