N-[(E)-1-(2-hydroxyphenyl)propylideneamino]-4-methylbenzamide

C17H18N2O2 — CID 135716964

IUPACN-[(E)-1-(2-hydroxyphenyl)propylideneamino]-4-methylbenzamide
SMILESCC/C(=N\NC(=O)c1ccc(C)cc1)c1ccccc1O
InChIInChI=1S/C17H18N2O2/c1-3-15(14-6-4-5-7-16(14)20)18-19-17(21)13-10-8-12(2)9-11-13/h4-11,20H,3H2,1-2H3,(H,19,21)/b18-15+
InChIKeyXTRDWDUSLCIVHT-OBGWFSINSA-N
MW282.34 g/mol
LogP3.24
Rot. Bonds4

About N-[(E)-1-(2-hydroxyphenyl)propylideneamino]-4-methylbenzamide

N-[(E)-1-(2-hydroxyphenyl)propylideneamino]-4-methylbenzamide (PubChem CID 135716964) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-[(E)-1-(2-hydroxyphenyl)propylideneamino]-4-methylbenzamide.

Molecular Properties

Compound NameN-[(E)-1-(2-hydroxyphenyl)propylideneamino]-4-methylbenzamide
PubChem CID135716964
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC NameN-[(E)-1-(2-hydroxyphenyl)propylideneamino]-4-methylbenzamide
SMILESCC/C(=N\NC(=O)c1ccc(C)cc1)c1ccccc1O
InChIInChI=1S/C17H18N2O2/c1-3-15(14-6-4-5-7-16(14)20)18-19-17(21)13-10-8-12(2)9-11-13/h4-11,20H,3H2,1-2H3,(H,19,21)/b18-15+
InChIKeyXTRDWDUSLCIVHT-OBGWFSINSA-N
XLogP3.24
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 ≤ 53.24
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

4-hydroxy-N-[1-(4-methylphenyl)propylideneamino]benzamide
CID 4622646
4-ethoxy-N-[(E)-1-(2-hydroxy-5-methylphenyl)propylideneamino]benzamide
CID 135577280
2-chloro-N-[1-(4-methylphenyl)propylideneamino]benzamide
CID 4195749
2-bromo-N-[1-(4-methylphenyl)propylideneamino]benzamide
CID 3635531
N-[1-(2-hydroxyphenyl)propylideneamino]-5-methylfuran-2-carboxamide
CID 868759
N-[1-(4-chlorophenyl)propylideneamino]-2-hydroxybenzamide
CID 4608756
4-(dimethylamino)-N-[(Z)-1-(4-methylphenyl)propylideneamino]benzamide
CID 6382403
4-chloro-N-[(E)-1-(2,5-dihydroxyphenyl)propylideneamino]benzamide
CID 135621561
4-ethyl-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]benzamide
CID 135673781
N,N'-bis[1-(2-hydroxyphenyl)propylideneamino]hexanediamide
CID 3340797
N-[1-(3-chlorophenyl)propylideneamino]-4-methylbenzamide
CID 3271296
4-tert-butyl-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]benzamide
CID 135614080

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(2-hydroxyphenyl)propylideneamino]-4-methylbenzamide?
The IUPAC name of N-[(E)-1-(2-hydroxyphenyl)propylideneamino]-4-methylbenzamide (CID 135716964) is N-[(E)-1-(2-hydroxyphenyl)propylideneamino]-4-methylbenzamide.
What is the SMILES notation for N-[(E)-1-(2-hydroxyphenyl)propylideneamino]-4-methylbenzamide?
The canonical SMILES for N-[(E)-1-(2-hydroxyphenyl)propylideneamino]-4-methylbenzamide is CC/C(=N\NC(=O)c1ccc(C)cc1)c1ccccc1O.
What is the InChIKey of N-[(E)-1-(2-hydroxyphenyl)propylideneamino]-4-methylbenzamide?
The InChIKey is XTRDWDUSLCIVHT-OBGWFSINSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-3-15(14-6-4-5-7-16(14)20)18-19-17(21)13-10-8-12(2)9-11-13/h4-11,20H,3H2,1-2H3,(H,19,21)/b18-15+.
What are the key properties of N-[(E)-1-(2-hydroxyphenyl)propylideneamino]-4-methylbenzamide?
N-[(E)-1-(2-hydroxyphenyl)propylideneamino]-4-methylbenzamide has a molecular weight of 282.34 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(2-hydroxyphenyl)propylideneamino]-4-methylbenzamide is sourced from PubChem (CID 135716964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).