4-ethyl-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]benzamide

C18H20N2O2 — CID 135673772

IUPAC4-ethyl-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]benzamide
SMILESCC/C(=N\NC(=O)c1ccc(CC)cc1)c1ccc(O)cc1
InChIInChI=1S/C18H20N2O2/c1-3-13-5-7-15(8-6-13)18(22)20-19-17(4-2)14-9-11-16(21)12-10-14/h5-12,21H,3-4H2,1-2H3,(H,20,22)/b19-17+
InChIKeyZTLAVFLVWQUFGX-HTXNQAPBSA-N
MW296.37 g/mol
LogP3.50
Rot. Bonds5

About 4-ethyl-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]benzamide

4-ethyl-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]benzamide (PubChem CID 135673772) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 4-ethyl-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]benzamide.

Molecular Properties

Compound Name4-ethyl-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]benzamide
PubChem CID135673772
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name4-ethyl-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]benzamide
SMILESCC/C(=N\NC(=O)c1ccc(CC)cc1)c1ccc(O)cc1
InChIInChI=1S/C18H20N2O2/c1-3-13-5-7-15(8-6-13)18(22)20-19-17(4-2)14-9-11-16(21)12-10-14/h5-12,21H,3-4H2,1-2H3,(H,20,22)/b19-17+
InChIKeyZTLAVFLVWQUFGX-HTXNQAPBSA-N
XLogP3.50
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.50
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

4-hydroxy-N-[1-(4-methylphenyl)propylideneamino]benzamide
CID 4622646
4-acetamido-N-[1-(4-hydroxyphenyl)propylideneamino]benzamide
CID 910379
N-[1-(4-hydroxyphenyl)propylideneamino]-4-phenylmethoxybenzamide
CID 4933037
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]acetamide
CID 135720029
4-ethyl-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]benzamide
CID 135673781
4-(cyclopropanecarbonylamino)-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]benzamide
CID 135560459
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-methoxybenzamide
CID 135643099
N-[4-[[(E)-1-(4-hydroxyphenyl)propylideneamino]carbamoyl]phenyl]-2-methylbenzamide
CID 135625816
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-4-(pentanoylamino)benzamide
CID 135681181
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-1H-pyrrole-2-carboxamide
CID 135771089
2-fluoro-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]benzamide
CID 135609434
N-[1-(4-hydroxyphenyl)propylideneamino]thiophene-2-carboxamide
CID 951050

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]benzamide?
The IUPAC name of 4-ethyl-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]benzamide (CID 135673772) is 4-ethyl-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]benzamide.
What is the SMILES notation for 4-ethyl-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]benzamide?
The canonical SMILES for 4-ethyl-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]benzamide is CC/C(=N\NC(=O)c1ccc(CC)cc1)c1ccc(O)cc1.
What is the InChIKey of 4-ethyl-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]benzamide?
The InChIKey is ZTLAVFLVWQUFGX-HTXNQAPBSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-3-13-5-7-15(8-6-13)18(22)20-19-17(4-2)14-9-11-16(21)12-10-14/h5-12,21H,3-4H2,1-2H3,(H,20,22)/b19-17+.
What are the key properties of 4-ethyl-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]benzamide?
4-ethyl-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]benzamide has a molecular weight of 296.37 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]benzamide is sourced from PubChem (CID 135673772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).