4-tert-butyl-N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]benzamide

C19H22N2O2 — CID 135642920

IUPAC4-tert-butyl-N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]benzamide
SMILESCc1ccc(O)c(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C19H22N2O2/c1-13-5-10-17(22)15(11-13)12-20-21-18(23)14-6-8-16(9-7-14)19(2,3)4/h5-12,22H,1-4H3,(H,21,23)/b20-12+
InChIKeyOOJNXBOWMQXOFJ-UDWIEESQSA-N
MW310.40 g/mol
LogP3.76
Rot. Bonds3

About 4-tert-butyl-N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]benzamide

4-tert-butyl-N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]benzamide (PubChem CID 135642920) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 4-tert-butyl-N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]benzamide
PubChem CID135642920
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name4-tert-butyl-N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]benzamide
SMILESCc1ccc(O)c(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C19H22N2O2/c1-13-5-10-17(22)15(11-13)12-20-21-18(23)14-6-8-16(9-7-14)19(2,3)4/h5-12,22H,1-4H3,(H,21,23)/b20-12+
InChIKeyOOJNXBOWMQXOFJ-UDWIEESQSA-N
XLogP3.76
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.76
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
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
4-hydroxy-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]benzamide
CID 6906205
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
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-hydroxy-5-methylphenyl)methylideneamino]benzamide?
The IUPAC name of 4-tert-butyl-N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]benzamide (CID 135642920) is 4-tert-butyl-N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-tert-butyl-N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]benzamide is Cc1ccc(O)c(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of 4-tert-butyl-N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]benzamide?
The InChIKey is OOJNXBOWMQXOFJ-UDWIEESQSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-13-5-10-17(22)15(11-13)12-20-21-18(23)14-6-8-16(9-7-14)19(2,3)4/h5-12,22H,1-4H3,(H,21,23)/b20-12+.
What are the key properties of 4-tert-butyl-N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]benzamide?
4-tert-butyl-N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]benzamide has a molecular weight of 310.40 g/mol, XLogP of 3.76, 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-hydroxy-5-methylphenyl)methylideneamino]benzamide is sourced from PubChem (CID 135642920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).