4-[(4-ethoxyphenoxy)methyl]-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide

C23H22N2O4 — CID 135849467

IUPAC4-[(4-ethoxyphenoxy)methyl]-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide
SMILESCCOc1ccc(OCc2ccc(C(=O)N/N=C/c3ccc(O)cc3)cc2)cc1
InChIInChI=1S/C23H22N2O4/c1-2-28-21-11-13-22(14-12-21)29-16-18-3-7-19(8-4-18)23(27)25-24-15-17-5-9-20(26)10-6-17/h3-15,26H,2,16H2,1H3,(H,25,27)/b24-15+
InChIKeyCOVPLVXKVTXEHR-BUVRLJJBSA-N
MW390.44 g/mol
LogP4.13
Rot. Bonds8

About 4-[(4-ethoxyphenoxy)methyl]-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide

4-[(4-ethoxyphenoxy)methyl]-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide (PubChem CID 135849467) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is 4-[(4-ethoxyphenoxy)methyl]-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-[(4-ethoxyphenoxy)methyl]-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide
PubChem CID135849467
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Name4-[(4-ethoxyphenoxy)methyl]-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide
SMILESCCOc1ccc(OCc2ccc(C(=O)N/N=C/c3ccc(O)cc3)cc2)cc1
InChIInChI=1S/C23H22N2O4/c1-2-28-21-11-13-22(14-12-21)29-16-18-3-7-19(8-4-18)23(27)25-24-15-17-5-9-20(26)10-6-17/h3-15,26H,2,16H2,1H3,(H,25,27)/b24-15+
InChIKeyCOVPLVXKVTXEHR-BUVRLJJBSA-N
XLogP4.13
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-ethoxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide
CID 135472605
1-N,4-N-bis[(4-ethoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 4674929
4-[(4-bromophenyl)methoxy]-N-[(Z)-(4-hydroxyphenyl)methylideneamino]benzamide
CID 136845072
4-[(4-ethoxyphenoxy)methyl]-N-[(4-hexoxyphenyl)methylideneamino]benzamide
CID 4541932
4-ethoxy-N-[(4-methylphenyl)methylideneamino]benzamide
CID 4249365
N-[(E)-[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-4-ethoxybenzamide
CID 17246369
4-chloro-N-[(Z)-(4-ethoxyphenyl)methylideneamino]benzamide
CID 5402776
N-[(4-tert-butylphenyl)methylideneamino]-4-ethoxybenzamide
CID 4132757
N-[(E)-(4-ethylphenyl)methylideneamino]-4-hydroxybenzamide
CID 6906079
N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-4-[(4-methylphenyl)methoxy]benzamide
CID 3808987
4-amino-N-[(Z)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
CID 7650399
N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 92658826

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethoxyphenoxy)methyl]-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-[(4-ethoxyphenoxy)methyl]-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide (CID 135849467) is 4-[(4-ethoxyphenoxy)methyl]-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-[(4-ethoxyphenoxy)methyl]-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-[(4-ethoxyphenoxy)methyl]-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide is CCOc1ccc(OCc2ccc(C(=O)N/N=C/c3ccc(O)cc3)cc2)cc1.
What is the InChIKey of 4-[(4-ethoxyphenoxy)methyl]-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide?
The InChIKey is COVPLVXKVTXEHR-BUVRLJJBSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-2-28-21-11-13-22(14-12-21)29-16-18-3-7-19(8-4-18)23(27)25-24-15-17-5-9-20(26)10-6-17/h3-15,26H,2,16H2,1H3,(H,25,27)/b24-15+.
What are the key properties of 4-[(4-ethoxyphenoxy)methyl]-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide?
4-[(4-ethoxyphenoxy)methyl]-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide has a molecular weight of 390.44 g/mol, XLogP of 4.13, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethoxyphenoxy)methyl]-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 135849467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).