3,4-diethoxy-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide

C20H24N2O5 — CID 137068274

IUPAC3,4-diethoxy-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide
SMILESCCOc1cc(/C=N/NC(=O)c2ccc(OCC)c(OCC)c2)ccc1O
InChIInChI=1S/C20H24N2O5/c1-4-25-17-10-8-15(12-19(17)27-6-3)20(24)22-21-13-14-7-9-16(23)18(11-14)26-5-2/h7-13,23H,4-6H2,1-3H3,(H,22,24)/b21-13+
InChIKeyFXEJJLCYNKXSMR-FYJGNVAPSA-N
MW372.42 g/mol
LogP3.35
Rot. Bonds9

About 3,4-diethoxy-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide

3,4-diethoxy-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide (PubChem CID 137068274) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is 3,4-diethoxy-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name3,4-diethoxy-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide
PubChem CID137068274
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC Name3,4-diethoxy-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide
SMILESCCOc1cc(/C=N/NC(=O)c2ccc(OCC)c(OCC)c2)ccc1O
InChIInChI=1S/C20H24N2O5/c1-4-25-17-10-8-15(12-19(17)27-6-3)20(24)22-21-13-14-7-9-16(23)18(11-14)26-5-2/h7-13,23H,4-6H2,1-3H3,(H,22,24)/b21-13+
InChIKeyFXEJJLCYNKXSMR-FYJGNVAPSA-N
XLogP3.35
TPSA89.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-tert-butyl-N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide
CID 923419
4-bromo-N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide
CID 1249575
N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-4-ethylbenzamide
CID 135673769
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3,4-diethoxybenzamide
CID 126324627
N-[(E)-(3-chloro-4-hydroxyphenyl)methylideneamino]-3-ethoxy-4-prop-2-enoxybenzamide
CID 137143665
N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 135538343
N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-3-fluorobenzamide
CID 135615883
N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide
CID 801166
N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-sulfanylidene-1,3-dihydrobenzimidazole-5-carboxamide
CID 136874336
N-[(E)-(3-ethoxy-4-propoxyphenyl)methylideneamino]-3-methoxy-4-propoxybenzamide
CID 126326152
3-ethoxy-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 126324922
4-ethoxy-N-[(E)-(3-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 17246424

Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide?
The IUPAC name of 3,4-diethoxy-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide (CID 137068274) is 3,4-diethoxy-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 3,4-diethoxy-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 3,4-diethoxy-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide is CCOc1cc(/C=N/NC(=O)c2ccc(OCC)c(OCC)c2)ccc1O.
What is the InChIKey of 3,4-diethoxy-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide?
The InChIKey is FXEJJLCYNKXSMR-FYJGNVAPSA-N. The full InChI is InChI=1S/C20H24N2O5/c1-4-25-17-10-8-15(12-19(17)27-6-3)20(24)22-21-13-14-7-9-16(23)18(11-14)26-5-2/h7-13,23H,4-6H2,1-3H3,(H,22,24)/b21-13+.
What are the key properties of 3,4-diethoxy-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide?
3,4-diethoxy-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide has a molecular weight of 372.42 g/mol, XLogP of 3.35, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 137068274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).