3-hydroxy-N-[(E)-[3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide

C22H20N2O3 — CID 17126659

IUPAC3-hydroxy-N-[(E)-[3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
SMILESCc1ccc(COc2cccc(/C=N/NC(=O)c3cccc(O)c3)c2)cc1
InChIInChI=1S/C22H20N2O3/c1-16-8-10-17(11-9-16)15-27-21-7-2-4-18(12-21)14-23-24-22(26)19-5-3-6-20(25)13-19/h2-14,25H,15H2,1H3,(H,24,26)/b23-14+
InChIKeyLGFGTTUHOINNKR-OEAKJJBVSA-N
MW360.41 g/mol
LogP4.04
Rot. Bonds6

About 3-hydroxy-N-[(E)-[3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide

3-hydroxy-N-[(E)-[3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide (PubChem CID 17126659) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is 3-hydroxy-N-[(E)-[3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide.

Molecular Properties

Compound Name3-hydroxy-N-[(E)-[3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
PubChem CID17126659
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC Name3-hydroxy-N-[(E)-[3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
SMILESCc1ccc(COc2cccc(/C=N/NC(=O)c3cccc(O)c3)c2)cc1
InChIInChI=1S/C22H20N2O3/c1-16-8-10-17(11-9-16)15-27-21-7-2-4-18(12-21)14-23-24-22(26)19-5-3-6-20(25)13-19/h2-14,25H,15H2,1H3,(H,24,26)/b23-14+
InChIKeyLGFGTTUHOINNKR-OEAKJJBVSA-N
XLogP4.04
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methylbenzamide
CID 4081735
2-amino-N-[(E)-[3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
CID 21370999
4-hydroxy-N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6900167
N-(2,6-dimethylphenyl)-N'-[[3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]oxamide
CID 5082451
3-chloro-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 5211161
[[3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]thiourea
CID 900233
3-hydroxy-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide
CID 6911430
N-[(E)-[3-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 126329870
3,4,5-trihydroxy-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 1028250
4-[(4-chlorophenyl)methoxy]-N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 3585979
4-[(4-chlorophenyl)methoxy]-N-[(E)-(3-hydroxyphenyl)methylideneamino]benzamide
CID 51061006
4-[(4-methylphenyl)sulfonylamino]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6024079

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[(E)-[3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide?
The IUPAC name of 3-hydroxy-N-[(E)-[3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide (CID 17126659) is 3-hydroxy-N-[(E)-[3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide.
What is the SMILES notation for 3-hydroxy-N-[(E)-[3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide?
The canonical SMILES for 3-hydroxy-N-[(E)-[3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide is Cc1ccc(COc2cccc(/C=N/NC(=O)c3cccc(O)c3)c2)cc1.
What is the InChIKey of 3-hydroxy-N-[(E)-[3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide?
The InChIKey is LGFGTTUHOINNKR-OEAKJJBVSA-N. The full InChI is InChI=1S/C22H20N2O3/c1-16-8-10-17(11-9-16)15-27-21-7-2-4-18(12-21)14-23-24-22(26)19-5-3-6-20(25)13-19/h2-14,25H,15H2,1H3,(H,24,26)/b23-14+.
What are the key properties of 3-hydroxy-N-[(E)-[3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide?
3-hydroxy-N-[(E)-[3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide has a molecular weight of 360.41 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[(E)-[3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide is sourced from PubChem (CID 17126659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).