2-hydroxy-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]benzamide

C17H18N2O2 — CID 6898847

IUPAC2-hydroxy-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]benzamide
SMILESCc1cc(C)c(/C=N/NC(=O)c2ccccc2O)c(C)c1
InChIInChI=1S/C17H18N2O2/c1-11-8-12(2)15(13(3)9-11)10-18-19-17(21)14-6-4-5-7-16(14)20/h4-10,20H,1-3H3,(H,19,21)/b18-10+
InChIKeyXGLREQWGRRQVBC-VCHYOVAHSA-N
MW282.34 g/mol
LogP3.08
Rot. Bonds3

About 2-hydroxy-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]benzamide

2-hydroxy-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]benzamide (PubChem CID 6898847) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-hydroxy-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-hydroxy-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]benzamide
PubChem CID6898847
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name2-hydroxy-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]benzamide
SMILESCc1cc(C)c(/C=N/NC(=O)c2ccccc2O)c(C)c1
InChIInChI=1S/C17H18N2O2/c1-11-8-12(2)15(13(3)9-11)10-18-19-17(21)14-6-4-5-7-16(14)20/h4-10,20H,1-3H3,(H,19,21)/b18-10+
InChIKeyXGLREQWGRRQVBC-VCHYOVAHSA-N
XLogP3.08
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.08
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

3-hydroxy-N-[(2,4,6-trimethylphenyl)methylideneamino]naphthalene-2-carboxamide
CID 5222816
N-[(Z)-(2,4-dimethylphenyl)methylideneamino]-2-hydroxybenzamide
CID 5419171
2-hydroxy-N-[(Z)-(2-methylphenyl)methylideneamino]benzamide
CID 5392167
2,6-dihydroxy-N-[(2-hydroxy-4,6-dimethylphenyl)methylideneamino]benzamide
CID 152758745
2-hydroxy-N-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]benzamide
CID 4683367
4-phenyl-N-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]benzamide
CID 6132987
2-methyl-N-[4-[[(2,4,6-trimethylphenyl)methylideneamino]carbamoyl]phenyl]benzamide
CID 3376592
N-[(2-chloro-6-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 137029868
N-[(Z)-(3,5-dibromo-4-methylphenyl)methylideneamino]-2-hydroxybenzamide
CID 126052608
2-chloro-N-[(Z)-(2,6-dimethylphenyl)methylideneamino]benzamide
CID 7416956
2-hydroxy-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 5417784
N-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]furan-2-carboxamide
CID 7406194

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]benzamide?
The IUPAC name of 2-hydroxy-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]benzamide (CID 6898847) is 2-hydroxy-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]benzamide.
What is the SMILES notation for 2-hydroxy-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]benzamide?
The canonical SMILES for 2-hydroxy-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]benzamide is Cc1cc(C)c(/C=N/NC(=O)c2ccccc2O)c(C)c1.
What is the InChIKey of 2-hydroxy-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]benzamide?
The InChIKey is XGLREQWGRRQVBC-VCHYOVAHSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-11-8-12(2)15(13(3)9-11)10-18-19-17(21)14-6-4-5-7-16(14)20/h4-10,20H,1-3H3,(H,19,21)/b18-10+.
What are the key properties of 2-hydroxy-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]benzamide?
2-hydroxy-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]benzamide has a molecular weight of 282.34 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]benzamide is sourced from PubChem (CID 6898847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).