4-tert-butyl-N-[(2-hydroxyphenyl)methylideneamino]benzamide

C18H20N2O2 — CID 679101

IUPAC4-tert-butyl-N-[(2-hydroxyphenyl)methylideneamino]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NN=Cc2ccccc2O)cc1
InChIInChI=1S/C18H20N2O2/c1-18(2,3)15-10-8-13(9-11-15)17(22)20-19-12-14-6-4-5-7-16(14)21/h4-12,21H,1-3H3,(H,20,22)
InChIKeyPBPGXPJZGFIONN-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.45
Rot. Bonds3

About 4-tert-butyl-N-[(2-hydroxyphenyl)methylideneamino]benzamide

4-tert-butyl-N-[(2-hydroxyphenyl)methylideneamino]benzamide (PubChem CID 679101) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 4-tert-butyl-N-[(2-hydroxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[(2-hydroxyphenyl)methylideneamino]benzamide
PubChem CID679101
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name4-tert-butyl-N-[(2-hydroxyphenyl)methylideneamino]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NN=Cc2ccccc2O)cc1
InChIInChI=1S/C18H20N2O2/c1-18(2,3)15-10-8-13(9-11-15)17(22)20-19-12-14-6-4-5-7-16(14)21/h4-12,21H,1-3H3,(H,20,22)
InChIKeyPBPGXPJZGFIONN-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': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(2-hydroxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-tert-butyl-N-[(2-hydroxyphenyl)methylideneamino]benzamide (CID 679101) is 4-tert-butyl-N-[(2-hydroxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[(2-hydroxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-tert-butyl-N-[(2-hydroxyphenyl)methylideneamino]benzamide is CC(C)(C)c1ccc(C(=O)NN=Cc2ccccc2O)cc1.
What is the InChIKey of 4-tert-butyl-N-[(2-hydroxyphenyl)methylideneamino]benzamide?
The InChIKey is PBPGXPJZGFIONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-18(2,3)15-10-8-13(9-11-15)17(22)20-19-12-14-6-4-5-7-16(14)21/h4-12,21H,1-3H3,(H,20,22).
What are the key properties of 4-tert-butyl-N-[(2-hydroxyphenyl)methylideneamino]benzamide?
4-tert-butyl-N-[(2-hydroxyphenyl)methylideneamino]benzamide 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 4-tert-butyl-N-[(2-hydroxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 679101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).