N-[(4-tert-butylphenyl)methylideneamino]-2-hydroxybenzamide

C18H20N2O2 — CID 793892

IUPACN-[(4-tert-butylphenyl)methylideneamino]-2-hydroxybenzamide
SMILESCC(C)(C)c1ccc(C=NNC(=O)c2ccccc2O)cc1
InChIInChI=1S/C18H20N2O2/c1-18(2,3)14-10-8-13(9-11-14)12-19-20-17(22)15-6-4-5-7-16(15)21/h4-12,21H,1-3H3,(H,20,22)
InChIKeyWTSWTEMDAKDKKU-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.45
Rot. Bonds3

About N-[(4-tert-butylphenyl)methylideneamino]-2-hydroxybenzamide

N-[(4-tert-butylphenyl)methylideneamino]-2-hydroxybenzamide (PubChem CID 793892) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-[(4-tert-butylphenyl)methylideneamino]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[(4-tert-butylphenyl)methylideneamino]-2-hydroxybenzamide
PubChem CID793892
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC NameN-[(4-tert-butylphenyl)methylideneamino]-2-hydroxybenzamide
SMILESCC(C)(C)c1ccc(C=NNC(=O)c2ccccc2O)cc1
InChIInChI=1S/C18H20N2O2/c1-18(2,3)14-10-8-13(9-11-14)12-19-20-17(22)15-6-4-5-7-16(15)21/h4-12,21H,1-3H3,(H,20,22)
InChIKeyWTSWTEMDAKDKKU-UHFFFAOYSA-N
XLogP3.45
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[4-[[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 4-tert-butylbenzoate
CID 3967331
N-[(E)-(4-tert-butylphenyl)methylideneamino]-2-hydroxy-5-iodobenzamide
CID 5335636
N-[(E)-benzylideneamino]-2-hydroxybenzamide;2,2,2-trifluoroacetic acid
CID 57397723
4-tert-butyl-N-[(4-fluorophenyl)methylideneamino]benzamide
CID 679105
N-[[1-(4-tert-butylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-hydroxybenzamide
CID 3650834
N-[(Z)-(3,5-dibromo-4-methylphenyl)methylideneamino]-2-hydroxybenzamide
CID 126052608
2-methyl-N-[(Z)-(4-methylphenyl)methylideneamino]benzamide
CID 5405615
2-hydroxy-N-[(Z)-(2-methylphenyl)methylideneamino]benzamide
CID 5392167
2-[(2E)-2-[(4-tert-butylphenyl)methylidene]hydrazinyl]benzoic acid
CID 20982677
2,4-dihydroxy-N-[[4-(trifluoromethyl)phenyl]methylideneamino]benzamide
CID 869882
N-[(E)-(4-tert-butylphenyl)methylideneamino]-3-fluorobenzamide
CID 6895131
2-hydroxy-N-[(E)-(2-methylsulfanylpyrimidin-5-yl)methylideneamino]benzamide
CID 17019858

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylphenyl)methylideneamino]-2-hydroxybenzamide?
The IUPAC name of N-[(4-tert-butylphenyl)methylideneamino]-2-hydroxybenzamide (CID 793892) is N-[(4-tert-butylphenyl)methylideneamino]-2-hydroxybenzamide.
What is the SMILES notation for N-[(4-tert-butylphenyl)methylideneamino]-2-hydroxybenzamide?
The canonical SMILES for N-[(4-tert-butylphenyl)methylideneamino]-2-hydroxybenzamide is CC(C)(C)c1ccc(C=NNC(=O)c2ccccc2O)cc1.
What is the InChIKey of N-[(4-tert-butylphenyl)methylideneamino]-2-hydroxybenzamide?
The InChIKey is WTSWTEMDAKDKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-18(2,3)14-10-8-13(9-11-14)12-19-20-17(22)15-6-4-5-7-16(15)21/h4-12,21H,1-3H3,(H,20,22).
What are the key properties of N-[(4-tert-butylphenyl)methylideneamino]-2-hydroxybenzamide?
N-[(4-tert-butylphenyl)methylideneamino]-2-hydroxybenzamide has a molecular weight of 296.37 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylphenyl)methylideneamino]-2-hydroxybenzamide is sourced from PubChem (CID 793892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).