4-hydroxy-N-[1-(4-methylphenyl)propylideneamino]benzamide

C17H18N2O2 — CID 4622646

IUPAC4-hydroxy-N-[1-(4-methylphenyl)propylideneamino]benzamide
SMILESCCC(=NNC(=O)c1ccc(O)cc1)c1ccc(C)cc1
InChIInChI=1S/C17H18N2O2/c1-3-16(13-6-4-12(2)5-7-13)18-19-17(21)14-8-10-15(20)11-9-14/h4-11,20H,3H2,1-2H3,(H,19,21)
InChIKeyKERGFRZLONXECO-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.24
Rot. Bonds4

About 4-hydroxy-N-[1-(4-methylphenyl)propylideneamino]benzamide

4-hydroxy-N-[1-(4-methylphenyl)propylideneamino]benzamide (PubChem CID 4622646) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 4-hydroxy-N-[1-(4-methylphenyl)propylideneamino]benzamide.

Molecular Properties

Compound Name4-hydroxy-N-[1-(4-methylphenyl)propylideneamino]benzamide
PubChem CID4622646
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name4-hydroxy-N-[1-(4-methylphenyl)propylideneamino]benzamide
SMILESCCC(=NNC(=O)c1ccc(O)cc1)c1ccc(C)cc1
InChIInChI=1S/C17H18N2O2/c1-3-16(13-6-4-12(2)5-7-13)18-19-17(21)14-8-10-15(20)11-9-14/h4-11,20H,3H2,1-2H3,(H,19,21)
InChIKeyKERGFRZLONXECO-UHFFFAOYSA-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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-ethyl-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]benzamide
CID 135673772
4-acetamido-N-[1-(4-hydroxyphenyl)propylideneamino]benzamide
CID 910379
4-(dimethylamino)-N-[(Z)-1-(4-methylphenyl)propylideneamino]benzamide
CID 6382403
N-[(E)-1-(2-hydroxyphenyl)propylideneamino]-4-methylbenzamide
CID 135716964
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-methoxybenzamide
CID 135643099
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]acetamide
CID 135720029
N-[4-[[(E)-1-(4-hydroxyphenyl)propylideneamino]carbamoyl]phenyl]-2-methylbenzamide
CID 135625816
3,4,5-triethoxy-N-[1-(4-methylphenyl)propylideneamino]benzamide
CID 4109578
N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-4-methylbenzamide
CID 136661545
N-[1-(3-chlorophenyl)propylideneamino]-4-methylbenzamide
CID 3271296
3-chloro-N-[(E)-1-(4-methylphenyl)propylideneamino]benzamide
CID 19685134
4-(cyclopropanecarbonylamino)-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]benzamide
CID 135560459

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[1-(4-methylphenyl)propylideneamino]benzamide?
The IUPAC name of 4-hydroxy-N-[1-(4-methylphenyl)propylideneamino]benzamide (CID 4622646) is 4-hydroxy-N-[1-(4-methylphenyl)propylideneamino]benzamide.
What is the SMILES notation for 4-hydroxy-N-[1-(4-methylphenyl)propylideneamino]benzamide?
The canonical SMILES for 4-hydroxy-N-[1-(4-methylphenyl)propylideneamino]benzamide is CCC(=NNC(=O)c1ccc(O)cc1)c1ccc(C)cc1.
What is the InChIKey of 4-hydroxy-N-[1-(4-methylphenyl)propylideneamino]benzamide?
The InChIKey is KERGFRZLONXECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-3-16(13-6-4-12(2)5-7-13)18-19-17(21)14-8-10-15(20)11-9-14/h4-11,20H,3H2,1-2H3,(H,19,21).
What are the key properties of 4-hydroxy-N-[1-(4-methylphenyl)propylideneamino]benzamide?
4-hydroxy-N-[1-(4-methylphenyl)propylideneamino]benzamide 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 4-hydroxy-N-[1-(4-methylphenyl)propylideneamino]benzamide is sourced from PubChem (CID 4622646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).