N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-4-methylbenzamide

C16H16N2O2 — CID 136661545

IUPACN-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-4-methylbenzamide
SMILESC/C(=N/NC(=O)c1ccc(C)cc1)c1ccc(O)cc1
InChIInChI=1S/C16H16N2O2/c1-11-3-5-14(6-4-11)16(20)18-17-12(2)13-7-9-15(19)10-8-13/h3-10,19H,1-2H3,(H,18,20)/b17-12-
InChIKeyVZACVOCHPQOQPN-ATVHPVEESA-N
MW268.32 g/mol
LogP2.85
Rot. Bonds3

About N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-4-methylbenzamide

N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-4-methylbenzamide (PubChem CID 136661545) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-4-methylbenzamide.

Molecular Properties

Compound NameN-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-4-methylbenzamide
PubChem CID136661545
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC NameN-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-4-methylbenzamide
SMILESC/C(=N/NC(=O)c1ccc(C)cc1)c1ccc(O)cc1
InChIInChI=1S/C16H16N2O2/c1-11-3-5-14(6-4-11)16(20)18-17-12(2)13-7-9-15(19)10-8-13/h3-10,19H,1-2H3,(H,18,20)/b17-12-
InChIKeyVZACVOCHPQOQPN-ATVHPVEESA-N
XLogP2.85
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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

3,5-dihydroxy-N-[(Z)-1-(4-methylphenyl)ethylideneamino]benzamide
CID 5406605
N-[1-(4-bromophenyl)ethylideneamino]-4-hydroxybenzamide
CID 1274836
N-[(Z)-1-(4-aminophenyl)ethylideneamino]-4-methylbenzamide
CID 6041987
N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 135625926
3,4,5-trihydroxy-N-[1-(4-methylphenyl)ethylideneamino]benzamide
CID 5009394
N,N'-bis[1-(4-methylphenyl)ethylideneamino]oxamide
CID 2831844
N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-4-pyrrol-1-ylbenzamide
CID 136690135
4-hydroxy-N-[1-(4-methylphenyl)propylideneamino]benzamide
CID 4622646
6-methyl-N-[(E)-1-(4-methylphenyl)ethylideneamino]pyridine-3-carboxamide
CID 45100248
N-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-4-hydroxybenzamide
CID 4051552
1-N,4-N-bis[1-(4-aminophenyl)ethylideneamino]benzene-1,4-dicarboxamide
CID 4998105
1-N,4-N-bis[(E)-1-(4-chlorophenyl)ethylideneamino]benzene-1,4-dicarboxamide
CID 5338733

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-4-methylbenzamide?
The IUPAC name of N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-4-methylbenzamide (CID 136661545) is N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-4-methylbenzamide.
What is the SMILES notation for N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-4-methylbenzamide?
The canonical SMILES for N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-4-methylbenzamide is C/C(=N/NC(=O)c1ccc(C)cc1)c1ccc(O)cc1.
What is the InChIKey of N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-4-methylbenzamide?
The InChIKey is VZACVOCHPQOQPN-ATVHPVEESA-N. The full InChI is InChI=1S/C16H16N2O2/c1-11-3-5-14(6-4-11)16(20)18-17-12(2)13-7-9-15(19)10-8-13/h3-10,19H,1-2H3,(H,18,20)/b17-12-.
What are the key properties of N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-4-methylbenzamide?
N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-4-methylbenzamide has a molecular weight of 268.32 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-4-methylbenzamide is sourced from PubChem (CID 136661545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).