N-tert-butyl-2-hydroxybenzamide

C33H45N3O6 — CID 139189948

IUPACN-tert-butyl-2-hydroxybenzamide
SMILESCC(C)(C)NC(=O)c1ccccc1O.CC(C)(C)NC(=O)c1ccccc1O.CC(C)(C)NC(=O)c1ccccc1O
InChIInChI=1S/3C11H15NO2/c3*1-11(2,3)12-10(14)8-6-4-5-7-9(8)13/h3*4-7,13H,1-3H3,(H,12,14)
InChIKeyHQBDFHSWTOLUTI-UHFFFAOYSA-N
MW579.74 g/mol
LogP5.76
Rot. Bonds3

About N-tert-butyl-2-hydroxybenzamide

N-tert-butyl-2-hydroxybenzamide (PubChem CID 139189948) has the molecular formula C33H45N3O6 and a molecular weight of 579.74 g/mol. Its IUPAC name is N-tert-butyl-2-hydroxybenzamide.

Molecular Properties

Compound NameN-tert-butyl-2-hydroxybenzamide
PubChem CID139189948
Molecular FormulaC33H45N3O6
Molecular Weight579.74 g/mol
Exact Mass579.33
IUPAC NameN-tert-butyl-2-hydroxybenzamide
SMILESCC(C)(C)NC(=O)c1ccccc1O.CC(C)(C)NC(=O)c1ccccc1O.CC(C)(C)NC(=O)c1ccccc1O
InChIInChI=1S/3C11H15NO2/c3*1-11(2,3)12-10(14)8-6-4-5-7-9(8)13/h3*4-7,13H,1-3H3,(H,12,14)
InChIKeyHQBDFHSWTOLUTI-UHFFFAOYSA-N
XLogP5.76
TPSA147.99 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500579.74
LogP ≤ 55.76
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

1-N,2-N,4-N,5-N-tetratert-butylbenzene-1,2,4,5-tetracarboxamide
CID 141420303
2-hydroxy-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 54943331
1-N,2-N,3-N-tritert-butylbenzene-1,2,3-tricarboxamide
CID 141065547
methyl 2-(tert-butylcarbamoyl)benzoate
CID 108785469
N-tert-butyl-2-methylsulfanylbenzamide
CID 967733
2-(bromomethyl)-N-tert-butylbenzamide
CID 82110404
N-tert-butyl-2-(4-methylphenyl)benzamide
CID 19036093
N,2-dihydroxybenzamide;ethane
CID 91440405
N-tert-butyl-2-tert-butylsulfinamoylbenzamide
CID 10990130
N-tert-butyl-2-(2-phenylacetyl)benzamide
CID 15197823
N-tert-butyl-2-(difluoromethylsulfanyl)benzamide
CID 60645913
[2-(tert-butylcarbamoyl)phenyl] thiocyanate
CID 88721437

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-hydroxybenzamide?
The IUPAC name of N-tert-butyl-2-hydroxybenzamide (CID 139189948) is N-tert-butyl-2-hydroxybenzamide.
What is the SMILES notation for N-tert-butyl-2-hydroxybenzamide?
The canonical SMILES for N-tert-butyl-2-hydroxybenzamide is CC(C)(C)NC(=O)c1ccccc1O.CC(C)(C)NC(=O)c1ccccc1O.CC(C)(C)NC(=O)c1ccccc1O.
What is the InChIKey of N-tert-butyl-2-hydroxybenzamide?
The InChIKey is HQBDFHSWTOLUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/3C11H15NO2/c3*1-11(2,3)12-10(14)8-6-4-5-7-9(8)13/h3*4-7,13H,1-3H3,(H,12,14).
What are the key properties of N-tert-butyl-2-hydroxybenzamide?
N-tert-butyl-2-hydroxybenzamide has a molecular weight of 579.74 g/mol, XLogP of 5.76, 3 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-hydroxybenzamide is sourced from PubChem (CID 139189948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).