N-[(E)-(4-ethylphenyl)methylideneamino]-4-hydroxybenzamide

C16H16N2O2 — CID 6906079

IUPACN-[(E)-(4-ethylphenyl)methylideneamino]-4-hydroxybenzamide
SMILESCCc1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1
InChIInChI=1S/C16H16N2O2/c1-2-12-3-5-13(6-4-12)11-17-18-16(20)14-7-9-15(19)10-8-14/h3-11,19H,2H2,1H3,(H,18,20)/b17-11+
InChIKeyXDNZCEWAQBWUTN-GZTJUZNOSA-N
MW268.32 g/mol
LogP2.72
Rot. Bonds4

About N-[(E)-(4-ethylphenyl)methylideneamino]-4-hydroxybenzamide

N-[(E)-(4-ethylphenyl)methylideneamino]-4-hydroxybenzamide (PubChem CID 6906079) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is N-[(E)-(4-ethylphenyl)methylideneamino]-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[(E)-(4-ethylphenyl)methylideneamino]-4-hydroxybenzamide
PubChem CID6906079
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC NameN-[(E)-(4-ethylphenyl)methylideneamino]-4-hydroxybenzamide
SMILESCCc1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1
InChIInChI=1S/C16H16N2O2/c1-2-12-3-5-13(6-4-12)11-17-18-16(20)14-7-9-15(19)10-8-14/h3-11,19H,2H2,1H3,(H,18,20)/b17-11+
InChIKeyXDNZCEWAQBWUTN-GZTJUZNOSA-N
XLogP2.72
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.72
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

4-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide;methanol
CID 139076899
4-bromo-N-[(4-ethylphenyl)methylideneamino]benzamide
CID 725933
4-hydroxy-N-[(4-methylphenyl)methylideneamino]benzamide
CID 789070
4-[(4-ethoxyphenoxy)methyl]-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide
CID 135849467
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-hydroxybenzamide
CID 5410903
4-ethoxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide
CID 135472605
4-N-hydroxy-1-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 135883029
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-ethylbenzamide
CID 135673755
4-amino-N-[(Z)-(4-hydroxyphenyl)methylideneamino]benzamide
CID 136742442
N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-4-ethylbenzamide
CID 135673769
N-[(Z)-(4-hydroxyphenyl)methylideneamino]-4-phenylbenzamide
CID 136661498
N-[(E)-[4-(dibutylamino)phenyl]methylideneamino]-4-hydroxybenzamide
CID 170647559

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-ethylphenyl)methylideneamino]-4-hydroxybenzamide?
The IUPAC name of N-[(E)-(4-ethylphenyl)methylideneamino]-4-hydroxybenzamide (CID 6906079) is N-[(E)-(4-ethylphenyl)methylideneamino]-4-hydroxybenzamide.
What is the SMILES notation for N-[(E)-(4-ethylphenyl)methylideneamino]-4-hydroxybenzamide?
The canonical SMILES for N-[(E)-(4-ethylphenyl)methylideneamino]-4-hydroxybenzamide is CCc1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1.
What is the InChIKey of N-[(E)-(4-ethylphenyl)methylideneamino]-4-hydroxybenzamide?
The InChIKey is XDNZCEWAQBWUTN-GZTJUZNOSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-2-12-3-5-13(6-4-12)11-17-18-16(20)14-7-9-15(19)10-8-14/h3-11,19H,2H2,1H3,(H,18,20)/b17-11+.
What are the key properties of N-[(E)-(4-ethylphenyl)methylideneamino]-4-hydroxybenzamide?
N-[(E)-(4-ethylphenyl)methylideneamino]-4-hydroxybenzamide has a molecular weight of 268.32 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-ethylphenyl)methylideneamino]-4-hydroxybenzamide is sourced from PubChem (CID 6906079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).