N-(5-tert-butyl-2-hydroxyphenyl)-3,4-dimethylbenzamide

C19H23NO2 — CID 51573262

IUPACN-(5-tert-butyl-2-hydroxyphenyl)-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2cc(C(C)(C)C)ccc2O)cc1C
InChIInChI=1S/C19H23NO2/c1-12-6-7-14(10-13(12)2)18(22)20-16-11-15(19(3,4)5)8-9-17(16)21/h6-11,21H,1-5H3,(H,20,22)
InChIKeyCEUMMTWMYPKOCI-UHFFFAOYSA-N
MW297.40 g/mol
LogP4.56
Rot. Bonds2

About N-(5-tert-butyl-2-hydroxyphenyl)-3,4-dimethylbenzamide

N-(5-tert-butyl-2-hydroxyphenyl)-3,4-dimethylbenzamide (PubChem CID 51573262) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is N-(5-tert-butyl-2-hydroxyphenyl)-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-(5-tert-butyl-2-hydroxyphenyl)-3,4-dimethylbenzamide
PubChem CID51573262
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC NameN-(5-tert-butyl-2-hydroxyphenyl)-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2cc(C(C)(C)C)ccc2O)cc1C
InChIInChI=1S/C19H23NO2/c1-12-6-7-14(10-13(12)2)18(22)20-16-11-15(19(3,4)5)8-9-17(16)21/h6-11,21H,1-5H3,(H,20,22)
InChIKeyCEUMMTWMYPKOCI-UHFFFAOYSA-N
XLogP4.56
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.56
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

N-(5-tert-butyl-2-hydroxyphenyl)-3-fluoro-4-methylbenzamide
CID 27673068
N-[(5-tert-butyl-2-hydroxyphenyl)carbamothioyl]-3,4-dimethylbenzamide
CID 1346607
N-(5-tert-butyl-2-hydroxyphenyl)-3-chloro-4-hydroxybenzamide
CID 29265235
N-[2-[(4-tert-butylbenzoyl)amino]phenyl]-3-hydroxy-4-methylbenzamide
CID 21352752
N-(5-tert-butyl-2-hydroxyphenyl)-4-ethoxybenzamide
CID 27672955
N,N'-bis(5-tert-butyl-2-hydroxyphenyl)oxamide
CID 10524086
N-(5-tert-butyl-2-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 46581242
N-(5-tert-butyl-2-hydroxyphenyl)-1,3-benzothiazole-6-carboxamide
CID 27672924
N-[4-[4-[(3,4-dimethylbenzoyl)amino]-5-hydroxy-2-(trifluoromethyl)phenyl]-2-hydroxy-5-(trifluoromethyl)phenyl]-3,4-dimethylbenzamide
CID 167065379
N-(5-tert-butyl-2-hydroxyphenyl)-3-cyclopropylbenzamide
CID 146081814
3-[(4-hydroxy-3-methylbenzoyl)amino]-4-methylbenzoic acid
CID 107674655
3-[(3-bromo-4-methylbenzoyl)amino]-4-hydroxybenzoic acid
CID 107264705

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-2-hydroxyphenyl)-3,4-dimethylbenzamide?
The IUPAC name of N-(5-tert-butyl-2-hydroxyphenyl)-3,4-dimethylbenzamide (CID 51573262) is N-(5-tert-butyl-2-hydroxyphenyl)-3,4-dimethylbenzamide.
What is the SMILES notation for N-(5-tert-butyl-2-hydroxyphenyl)-3,4-dimethylbenzamide?
The canonical SMILES for N-(5-tert-butyl-2-hydroxyphenyl)-3,4-dimethylbenzamide is Cc1ccc(C(=O)Nc2cc(C(C)(C)C)ccc2O)cc1C.
What is the InChIKey of N-(5-tert-butyl-2-hydroxyphenyl)-3,4-dimethylbenzamide?
The InChIKey is CEUMMTWMYPKOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-12-6-7-14(10-13(12)2)18(22)20-16-11-15(19(3,4)5)8-9-17(16)21/h6-11,21H,1-5H3,(H,20,22).
What are the key properties of N-(5-tert-butyl-2-hydroxyphenyl)-3,4-dimethylbenzamide?
N-(5-tert-butyl-2-hydroxyphenyl)-3,4-dimethylbenzamide has a molecular weight of 297.40 g/mol, XLogP of 4.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-2-hydroxyphenyl)-3,4-dimethylbenzamide is sourced from PubChem (CID 51573262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).