N-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-4-phenylbenzamide

C22H20N2O4 — CID 135735439

IUPACN-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-4-phenylbenzamide
SMILESCOc1cc(/C=N\NC(=O)c2ccc(-c3ccccc3)cc2)cc(OC)c1O
InChIInChI=1S/C22H20N2O4/c1-27-19-12-15(13-20(28-2)21(19)25)14-23-24-22(26)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-14,25H,1-2H3,(H,24,26)/b23-14-
InChIKeyJDOKOIZTWBNRIZ-UCQKPKSFSA-N
MW376.41 g/mol
LogP3.84
Rot. Bonds6

About N-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-4-phenylbenzamide

N-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-4-phenylbenzamide (PubChem CID 135735439) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is N-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-4-phenylbenzamide
PubChem CID135735439
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC NameN-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-4-phenylbenzamide
SMILESCOc1cc(/C=N\NC(=O)c2ccc(-c3ccccc3)cc2)cc(OC)c1O
InChIInChI=1S/C22H20N2O4/c1-27-19-12-15(13-20(28-2)21(19)25)14-23-24-22(26)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-14,25H,1-2H3,(H,24,26)/b23-14-
InChIKeyJDOKOIZTWBNRIZ-UCQKPKSFSA-N
XLogP3.84
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 53.84
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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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-4-phenylbenzamide?
The IUPAC name of N-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-4-phenylbenzamide (CID 135735439) is N-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-4-phenylbenzamide.
What is the SMILES notation for N-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-4-phenylbenzamide?
The canonical SMILES for N-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-4-phenylbenzamide is COc1cc(/C=N\NC(=O)c2ccc(-c3ccccc3)cc2)cc(OC)c1O.
What is the InChIKey of N-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-4-phenylbenzamide?
The InChIKey is JDOKOIZTWBNRIZ-UCQKPKSFSA-N. The full InChI is InChI=1S/C22H20N2O4/c1-27-19-12-15(13-20(28-2)21(19)25)14-23-24-22(26)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-14,25H,1-2H3,(H,24,26)/b23-14-.
What are the key properties of N-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-4-phenylbenzamide?
N-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-4-phenylbenzamide has a molecular weight of 376.41 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-4-phenylbenzamide is sourced from PubChem (CID 135735439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).