N-[(E)-(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]benzamide

C22H28N2O2 — CID 135637726

IUPACN-[(E)-(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]benzamide
SMILESCC(C)(C)c1cc(/C=N/NC(=O)c2ccccc2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C22H28N2O2/c1-21(2,3)17-12-16(19(25)18(13-17)22(4,5)6)14-23-24-20(26)15-10-8-7-9-11-15/h7-14,25H,1-6H3,(H,24,26)/b23-14+
InChIKeyUEHOZCUBIBMWLP-OEAKJJBVSA-N
MW352.48 g/mol
LogP4.75
Rot. Bonds3

About N-[(E)-(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]benzamide

N-[(E)-(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]benzamide (PubChem CID 135637726) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-[(E)-(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound NameN-[(E)-(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]benzamide
PubChem CID135637726
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC NameN-[(E)-(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]benzamide
SMILESCC(C)(C)c1cc(/C=N/NC(=O)c2ccccc2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C22H28N2O2/c1-21(2,3)17-12-16(19(25)18(13-17)22(4,5)6)14-23-24-20(26)15-10-8-7-9-11-15/h7-14,25H,1-6H3,(H,24,26)/b23-14+
InChIKeyUEHOZCUBIBMWLP-OEAKJJBVSA-N
XLogP4.75
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.75
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

Chel 180
CID 135445765
4-(4-hydroxy-3,5-dimethylphenyl)-2-methylphthalazin-1(2H)-one
CID 624420
Gsk 4716
CID 5331325
(2-Hydroxybenzylidene)salicylohydrazide
CID 135484660
4-Hydroxybenzoic (2-hydroxybenzylidene)hydrazide
CID 135778696
2-Hydroxy-N'-[(E)-(3-hydroxyphenyl)methylidene]benzohydrazide
CID 6893640
2-Hydroxy-1-naphthalaldehyde salicyloylhydrazone
CID 135458654
4-Methylbenzoic (2-hydroxy-1-naphthylmethylene)hydrazide
CID 135407190
Salicylic (4-hydroxybenzylidene)hydrazide
CID 135504499
Nsc204792
CID 135459102
(E)-N'-(4-hydroxybenzylidene)benzohydrazide
CID 135459360
4-hydroxy-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]benzamide
CID 6906200

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]benzamide?
The IUPAC name of N-[(E)-(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]benzamide (CID 135637726) is N-[(E)-(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for N-[(E)-(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]benzamide?
The canonical SMILES for N-[(E)-(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]benzamide is CC(C)(C)c1cc(/C=N/NC(=O)c2ccccc2)c(O)c(C(C)(C)C)c1.
What is the InChIKey of N-[(E)-(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]benzamide?
The InChIKey is UEHOZCUBIBMWLP-OEAKJJBVSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-21(2,3)17-12-16(19(25)18(13-17)22(4,5)6)14-23-24-20(26)15-10-8-7-9-11-15/h7-14,25H,1-6H3,(H,24,26)/b23-14+.
What are the key properties of N-[(E)-(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]benzamide?
N-[(E)-(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]benzamide has a molecular weight of 352.48 g/mol, XLogP of 4.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 135637726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).