N-[(4-tert-butylphenyl)methyl]-N-hydroxybenzamide

C18H21NO2 — CID 177290710

IUPACN-[(4-tert-butylphenyl)methyl]-N-hydroxybenzamide
SMILESCC(C)(C)c1ccc(CN(O)C(=O)c2ccccc2)cc1
InChIInChI=1S/C18H21NO2/c1-18(2,3)16-11-9-14(10-12-16)13-19(21)17(20)15-7-5-4-6-8-15/h4-12,21H,13H2,1-3H3
InChIKeySDIJMNLEFOHIQQ-UHFFFAOYSA-N
MW283.37 g/mol
LogP4.02
Rot. Bonds3

About N-[(4-tert-butylphenyl)methyl]-N-hydroxybenzamide

N-[(4-tert-butylphenyl)methyl]-N-hydroxybenzamide (PubChem CID 177290710) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-[(4-tert-butylphenyl)methyl]-N-hydroxybenzamide.

Molecular Properties

Compound NameN-[(4-tert-butylphenyl)methyl]-N-hydroxybenzamide
PubChem CID177290710
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC NameN-[(4-tert-butylphenyl)methyl]-N-hydroxybenzamide
SMILESCC(C)(C)c1ccc(CN(O)C(=O)c2ccccc2)cc1
InChIInChI=1S/C18H21NO2/c1-18(2,3)16-11-9-14(10-12-16)13-19(21)17(20)15-7-5-4-6-8-15/h4-12,21H,13H2,1-3H3
InChIKeySDIJMNLEFOHIQQ-UHFFFAOYSA-N
XLogP4.02
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-N,4-N-dibenzyl-1-N,4-N-dihydroxybenzene-1,4-dicarboxamide
CID 20615921
N-benzhydryl-N-[(4-tert-butylphenyl)methyl]benzamide
CID 42703438
N-[2-[(4-tert-butylphenyl)methyl-methylamino]-2-oxoethyl]-N-methylbenzamide
CID 43056971
N-benzyl-4-tert-butyl-N-(furan-2-ylmethyl)benzamide
CID 4518197
N-[4-[(4-tert-butylphenyl)methyl-methylamino]-4-oxobutyl]benzamide
CID 39757925
N-tert-butyl-N-(4-tert-butylphenyl)benzamide
CID 517588
N-benzyl-4-tert-butyl-N-pyridin-1-ium-2-ylbenzamide
CID 4142031
N-hydroxy-2,2-dimethyl-N-[(4-phenylphenyl)methyl]propanamide
CID 15670577
4-tert-butyl-N-[(4-chlorophenyl)methyl]-N-methylbenzamide
CID 99955818
N-hydroxy-N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)benzamide
CID 54505317
[2-(dibenzylamino)-2-oxoethyl] 4-tert-butylbenzoate
CID 7891947
N-benzyl-N-[(4-tert-butylphenyl)methyl]ethanamine
CID 58802076

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylphenyl)methyl]-N-hydroxybenzamide?
The IUPAC name of N-[(4-tert-butylphenyl)methyl]-N-hydroxybenzamide (CID 177290710) is N-[(4-tert-butylphenyl)methyl]-N-hydroxybenzamide.
What is the SMILES notation for N-[(4-tert-butylphenyl)methyl]-N-hydroxybenzamide?
The canonical SMILES for N-[(4-tert-butylphenyl)methyl]-N-hydroxybenzamide is CC(C)(C)c1ccc(CN(O)C(=O)c2ccccc2)cc1.
What is the InChIKey of N-[(4-tert-butylphenyl)methyl]-N-hydroxybenzamide?
The InChIKey is SDIJMNLEFOHIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-18(2,3)16-11-9-14(10-12-16)13-19(21)17(20)15-7-5-4-6-8-15/h4-12,21H,13H2,1-3H3.
What are the key properties of N-[(4-tert-butylphenyl)methyl]-N-hydroxybenzamide?
N-[(4-tert-butylphenyl)methyl]-N-hydroxybenzamide has a molecular weight of 283.37 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylphenyl)methyl]-N-hydroxybenzamide is sourced from PubChem (CID 177290710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).