4-tert-butyl-N-hydroxy-2-methylbenzamide;4-tert-butyl-N-hydroxy-3-methylbenzamide

C24H34N2O4 — CID 158310192

IUPAC4-tert-butyl-N-hydroxy-2-methylbenzamide;4-tert-butyl-N-hydroxy-3-methylbenzamide
SMILESCc1cc(C(=O)NO)ccc1C(C)(C)C.Cc1cc(C(C)(C)C)ccc1C(=O)NO
InChIInChI=1S/2C12H17NO2/c1-8-7-9(12(2,3)4)5-6-10(8)11(14)13-15;1-8-7-9(11(14)13-15)5-6-10(8)12(2,3)4/h2*5-7,15H,1-4H3,(H,13,14)
InChIKeyGNOXSNBERSOWKM-UHFFFAOYSA-N
MW414.55 g/mol
LogP4.82
Rot. Bonds2

About 4-tert-butyl-N-hydroxy-2-methylbenzamide;4-tert-butyl-N-hydroxy-3-methylbenzamide

4-tert-butyl-N-hydroxy-2-methylbenzamide;4-tert-butyl-N-hydroxy-3-methylbenzamide (PubChem CID 158310192) has the molecular formula C24H34N2O4 and a molecular weight of 414.55 g/mol. Its IUPAC name is 4-tert-butyl-N-hydroxy-2-methylbenzamide;4-tert-butyl-N-hydroxy-3-methylbenzamide.

Molecular Properties

Compound Name4-tert-butyl-N-hydroxy-2-methylbenzamide;4-tert-butyl-N-hydroxy-3-methylbenzamide
PubChem CID158310192
Molecular FormulaC24H34N2O4
Molecular Weight414.55 g/mol
Exact Mass414.25
IUPAC Name4-tert-butyl-N-hydroxy-2-methylbenzamide;4-tert-butyl-N-hydroxy-3-methylbenzamide
SMILESCc1cc(C(=O)NO)ccc1C(C)(C)C.Cc1cc(C(C)(C)C)ccc1C(=O)NO
InChIInChI=1S/2C12H17NO2/c1-8-7-9(12(2,3)4)5-6-10(8)11(14)13-15;1-8-7-9(11(14)13-15)5-6-10(8)12(2,3)4/h2*5-7,15H,1-4H3,(H,13,14)
InChIKeyGNOXSNBERSOWKM-UHFFFAOYSA-N
XLogP4.82
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 54.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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-(4-tert-butyl-2-methylphenyl)ethanone;methane
CID 161237791
4-tert-butyl-N,N,3-trimethylbenzamide
CID 118473510
4-tert-butyl-N-(cyanomethyl)-2-methylbenzamide
CID 82474476
1-(4-tert-butyl-2-methylphenyl)-3,3-dimethylbutan-1-one
CID 82498362
3,4-ditert-butyl-N-methylbenzamide
CID 146575850
4-tert-butyl-2-methylbenzenecarboperoxoic acid
CID 54175949
N-(5-tert-butyl-2-hydroxyphenyl)-3,4-dimethylbenzamide
CID 51573262
1-(4-tert-butyl-2-methylphenyl)-2-(methylamino)ethanone
CID 82493915
N-(4-tert-butylphenyl)-2,4-dimethylbenzamide
CID 953234
phenyl 4-tert-butyl-3-methylbenzoate
CID 130395625
3-bromo-N-[4-[(3-bromo-4-tert-butylbenzoyl)amino]phenyl]-4-tert-butylbenzamide
CID 3950836
5-(4-tert-butylphenyl)-2-chloro-N-hydroxybenzamide
CID 58663049

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-hydroxy-2-methylbenzamide;4-tert-butyl-N-hydroxy-3-methylbenzamide?
The IUPAC name of 4-tert-butyl-N-hydroxy-2-methylbenzamide;4-tert-butyl-N-hydroxy-3-methylbenzamide (CID 158310192) is 4-tert-butyl-N-hydroxy-2-methylbenzamide;4-tert-butyl-N-hydroxy-3-methylbenzamide.
What is the SMILES notation for 4-tert-butyl-N-hydroxy-2-methylbenzamide;4-tert-butyl-N-hydroxy-3-methylbenzamide?
The canonical SMILES for 4-tert-butyl-N-hydroxy-2-methylbenzamide;4-tert-butyl-N-hydroxy-3-methylbenzamide is Cc1cc(C(=O)NO)ccc1C(C)(C)C.Cc1cc(C(C)(C)C)ccc1C(=O)NO.
What is the InChIKey of 4-tert-butyl-N-hydroxy-2-methylbenzamide;4-tert-butyl-N-hydroxy-3-methylbenzamide?
The InChIKey is GNOXSNBERSOWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H17NO2/c1-8-7-9(12(2,3)4)5-6-10(8)11(14)13-15;1-8-7-9(11(14)13-15)5-6-10(8)12(2,3)4/h2*5-7,15H,1-4H3,(H,13,14).
What are the key properties of 4-tert-butyl-N-hydroxy-2-methylbenzamide;4-tert-butyl-N-hydroxy-3-methylbenzamide?
4-tert-butyl-N-hydroxy-2-methylbenzamide;4-tert-butyl-N-hydroxy-3-methylbenzamide has a molecular weight of 414.55 g/mol, XLogP of 4.82, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-hydroxy-2-methylbenzamide;4-tert-butyl-N-hydroxy-3-methylbenzamide is sourced from PubChem (CID 158310192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).