4-hydroxy-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]benzamide

C17H18N2O2 — CID 5331325

IUPAC4-hydroxy-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]benzamide
SMILESCC(C)c1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1
InChIInChI=1S/C17H18N2O2/c1-12(2)14-5-3-13(4-6-14)11-18-19-17(21)15-7-9-16(20)10-8-15/h3-12,20H,1-2H3,(H,19,21)/b18-11+
InChIKeyIKPPIUNQWSRCOZ-WOJGMQOQSA-N
MW282.34 g/mol
LogP3.28
Rot. Bonds4

About 4-hydroxy-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]benzamide

4-hydroxy-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]benzamide (PubChem CID 5331325) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 4-hydroxy-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-hydroxy-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]benzamide
PubChem CID5331325
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name4-hydroxy-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]benzamide
SMILESCC(C)c1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1
InChIInChI=1S/C17H18N2O2/c1-12(2)14-5-3-13(4-6-14)11-18-19-17(21)15-7-9-16(20)10-8-15/h3-12,20H,1-2H3,(H,19,21)/b18-11+
InChIKeyIKPPIUNQWSRCOZ-WOJGMQOQSA-N
XLogP3.28
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.28
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

Chel 180
CID 135445765
(2-Hydroxybenzylidene)salicylohydrazide
CID 135484660
4-Hydroxybenzoic (2-hydroxybenzylidene)hydrazide
CID 135778696
4-hydroxy-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]benzamide
CID 6906205
4-Methylbenzoic (2-hydroxy-1-naphthylmethylene)hydrazide
CID 135407190
Salicylic (4-hydroxybenzylidene)hydrazide
CID 135504499
4-Methoxybenzoic benzylidenehydrazide
CID 9562118
Nsc204792
CID 135459102
(E)-N'-(4-hydroxybenzylidene)benzohydrazide
CID 135459360
N'-[(1Z)-1-(3-hydroxyphenyl)ethylidene]biphenyl-4-carbohydrazide
CID 6081739
4-hydroxy-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]benzamide
CID 6906200
N-[(E)-(5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-hydroxybenzamide
CID 9684188

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]benzamide?
The IUPAC name of 4-hydroxy-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]benzamide (CID 5331325) is 4-hydroxy-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-hydroxy-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-hydroxy-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]benzamide is CC(C)c1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1.
What is the InChIKey of 4-hydroxy-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]benzamide?
The InChIKey is IKPPIUNQWSRCOZ-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-12(2)14-5-3-13(4-6-14)11-18-19-17(21)15-7-9-16(20)10-8-15/h3-12,20H,1-2H3,(H,19,21)/b18-11+.
What are the key properties of 4-hydroxy-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]benzamide?
4-hydroxy-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]benzamide has a molecular weight of 282.34 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]benzamide is sourced from PubChem (CID 5331325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).