4-ethoxy-N-[(E)-1-(2-hydroxy-5-methylphenyl)propylideneamino]benzamide

C19H22N2O3 — CID 135577280

IUPAC4-ethoxy-N-[(E)-1-(2-hydroxy-5-methylphenyl)propylideneamino]benzamide
SMILESCCOc1ccc(C(=O)N/N=C(\CC)c2cc(C)ccc2O)cc1
InChIInChI=1S/C19H22N2O3/c1-4-17(16-12-13(3)6-11-18(16)22)20-21-19(23)14-7-9-15(10-8-14)24-5-2/h6-12,22H,4-5H2,1-3H3,(H,21,23)/b20-17+
InChIKeyZBRRPQZPLZIATQ-LVZFUZTISA-N
MW326.40 g/mol
LogP3.64
Rot. Bonds6

About 4-ethoxy-N-[(E)-1-(2-hydroxy-5-methylphenyl)propylideneamino]benzamide

4-ethoxy-N-[(E)-1-(2-hydroxy-5-methylphenyl)propylideneamino]benzamide (PubChem CID 135577280) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 4-ethoxy-N-[(E)-1-(2-hydroxy-5-methylphenyl)propylideneamino]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[(E)-1-(2-hydroxy-5-methylphenyl)propylideneamino]benzamide
PubChem CID135577280
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name4-ethoxy-N-[(E)-1-(2-hydroxy-5-methylphenyl)propylideneamino]benzamide
SMILESCCOc1ccc(C(=O)N/N=C(\CC)c2cc(C)ccc2O)cc1
InChIInChI=1S/C19H22N2O3/c1-4-17(16-12-13(3)6-11-18(16)22)20-21-19(23)14-7-9-15(10-8-14)24-5-2/h6-12,22H,4-5H2,1-3H3,(H,21,23)/b20-17+
InChIKeyZBRRPQZPLZIATQ-LVZFUZTISA-N
XLogP3.64
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(4-ethoxyphenoxy)methyl]-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]benzamide
CID 135613550
N-[(E)-1-(2-hydroxyphenyl)propylideneamino]-4-methylbenzamide
CID 135716964
N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]-4-propoxybenzamide
CID 137268526
4-ethyl-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]benzamide
CID 135673781
4-chloro-N-[(E)-1-(2,5-dihydroxyphenyl)propylideneamino]benzamide
CID 135621561
3,4,5-triethoxy-N-[1-(4-methylphenyl)propylideneamino]benzamide
CID 4109578
4-tert-butyl-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]benzamide
CID 135614080
N-[(Z)-1-(2,5-dihydroxyphenyl)propylideneamino]-3,5-dimethoxybenzamide
CID 135621568
4-hydroxy-N-[1-(4-methylphenyl)propylideneamino]benzamide
CID 4622646
5-chloro-N-[1-(4-ethoxyphenyl)ethylideneamino]-2-hydroxybenzamide
CID 5154909
N'-(4-ethoxybenzoyl)-2,4-dimethylbenzohydrazide
CID 7600016
N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide
CID 912000

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[(E)-1-(2-hydroxy-5-methylphenyl)propylideneamino]benzamide?
The IUPAC name of 4-ethoxy-N-[(E)-1-(2-hydroxy-5-methylphenyl)propylideneamino]benzamide (CID 135577280) is 4-ethoxy-N-[(E)-1-(2-hydroxy-5-methylphenyl)propylideneamino]benzamide.
What is the SMILES notation for 4-ethoxy-N-[(E)-1-(2-hydroxy-5-methylphenyl)propylideneamino]benzamide?
The canonical SMILES for 4-ethoxy-N-[(E)-1-(2-hydroxy-5-methylphenyl)propylideneamino]benzamide is CCOc1ccc(C(=O)N/N=C(\CC)c2cc(C)ccc2O)cc1.
What is the InChIKey of 4-ethoxy-N-[(E)-1-(2-hydroxy-5-methylphenyl)propylideneamino]benzamide?
The InChIKey is ZBRRPQZPLZIATQ-LVZFUZTISA-N. The full InChI is InChI=1S/C19H22N2O3/c1-4-17(16-12-13(3)6-11-18(16)22)20-21-19(23)14-7-9-15(10-8-14)24-5-2/h6-12,22H,4-5H2,1-3H3,(H,21,23)/b20-17+.
What are the key properties of 4-ethoxy-N-[(E)-1-(2-hydroxy-5-methylphenyl)propylideneamino]benzamide?
4-ethoxy-N-[(E)-1-(2-hydroxy-5-methylphenyl)propylideneamino]benzamide has a molecular weight of 326.40 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[(E)-1-(2-hydroxy-5-methylphenyl)propylideneamino]benzamide is sourced from PubChem (CID 135577280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).