4-tert-butyl-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide

C22H22N2O2 — CID 135459006

IUPAC4-tert-butyl-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
SMILESCC(C)(C)c1ccc(C(=O)N/N=C/c2c(O)ccc3ccccc23)cc1
InChIInChI=1S/C22H22N2O2/c1-22(2,3)17-11-8-16(9-12-17)21(26)24-23-14-19-18-7-5-4-6-15(18)10-13-20(19)25/h4-14,25H,1-3H3,(H,24,26)/b23-14+
InChIKeyQSEQSUVWYBZMLJ-OEAKJJBVSA-N
MW346.43 g/mol
LogP4.61
Rot. Bonds3

About 4-tert-butyl-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide

4-tert-butyl-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide (PubChem CID 135459006) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 4-tert-butyl-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
PubChem CID135459006
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name4-tert-butyl-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
SMILESCC(C)(C)c1ccc(C(=O)N/N=C/c2c(O)ccc3ccccc23)cc1
InChIInChI=1S/C22H22N2O2/c1-22(2,3)17-11-8-16(9-12-17)21(26)24-23-14-19-18-7-5-4-6-15(18)10-13-20(19)25/h4-14,25H,1-3H3,(H,24,26)/b23-14+
InChIKeyQSEQSUVWYBZMLJ-OEAKJJBVSA-N
XLogP4.61
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.61
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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Related Compounds

(E)-3,4-Dihydroxy-N'-((2-methoxynaphthalen-1-YL)methylene)benzohydrazide
CID 9562794
Dynasore
CID 135533054
4-chloro-N'-[(E)-(2-hydroxynaphthalen-1-yl)methylidene]benzohydrazide
CID 135497917
Dyngo-4a
CID 136227923
N'-cyclohexylidene-3-hydroxynaphthalene-2-carbohydrazide
CID 795531
2-Hydroxy-1-naphthylaldehyde 3-fluorobenzoylhydrazone
CID 135412822
2-Hydroxy-1-naphthalaldehyde salicyloylhydrazone
CID 135458654
4-Methylbenzoic (2-hydroxy-1-naphthylmethylene)hydrazide
CID 135407190
N'-(1,3-dimethylbutylidene)-3-hydroxy-2-naphthohydrazide
CID 5779530
N'-[(2-methoxy-1-naphthyl)methylene]-4-biphenylcarbohydrazide
CID 5332319
N'-cycloheptylidene-3-hydroxynaphthalene-2-carbohydrazide
CID 3623129
N'-[(1Z)-1-(3-hydroxyphenyl)ethylidene]biphenyl-4-carbohydrazide
CID 6081739

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide?
The IUPAC name of 4-tert-butyl-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide (CID 135459006) is 4-tert-butyl-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide?
The canonical SMILES for 4-tert-butyl-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide is CC(C)(C)c1ccc(C(=O)N/N=C/c2c(O)ccc3ccccc23)cc1.
What is the InChIKey of 4-tert-butyl-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide?
The InChIKey is QSEQSUVWYBZMLJ-OEAKJJBVSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-22(2,3)17-11-8-16(9-12-17)21(26)24-23-14-19-18-7-5-4-6-15(18)10-13-20(19)25/h4-14,25H,1-3H3,(H,24,26)/b23-14+.
What are the key properties of 4-tert-butyl-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide?
4-tert-butyl-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide has a molecular weight of 346.43 g/mol, XLogP of 4.61, 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-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide is sourced from PubChem (CID 135459006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).