N-[(E)-[4-[benzyl(methyl)amino]phenyl]methylideneamino]-4-hydroxybenzamide

C22H21N3O2 — CID 170647573

IUPACN-[(E)-[4-[benzyl(methyl)amino]phenyl]methylideneamino]-4-hydroxybenzamide
SMILESCN(Cc1ccccc1)c1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1
InChIInChI=1S/C22H21N3O2/c1-25(16-18-5-3-2-4-6-18)20-11-7-17(8-12-20)15-23-24-22(27)19-9-13-21(26)14-10-19/h2-15,26H,16H2,1H3,(H,24,27)/b23-15+
InChIKeyKPHQOWWRJUJJPM-HZHRSRAPSA-N
MW359.43 g/mol
LogP3.79
Rot. Bonds6

About N-[(E)-[4-[benzyl(methyl)amino]phenyl]methylideneamino]-4-hydroxybenzamide

N-[(E)-[4-[benzyl(methyl)amino]phenyl]methylideneamino]-4-hydroxybenzamide (PubChem CID 170647573) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[(E)-[4-[benzyl(methyl)amino]phenyl]methylideneamino]-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[(E)-[4-[benzyl(methyl)amino]phenyl]methylideneamino]-4-hydroxybenzamide
PubChem CID170647573
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC NameN-[(E)-[4-[benzyl(methyl)amino]phenyl]methylideneamino]-4-hydroxybenzamide
SMILESCN(Cc1ccccc1)c1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1
InChIInChI=1S/C22H21N3O2/c1-25(16-18-5-3-2-4-6-18)20-11-7-17(8-12-20)15-23-24-22(27)19-9-13-21(26)14-10-19/h2-15,26H,16H2,1H3,(H,24,27)/b23-15+
InChIKeyKPHQOWWRJUJJPM-HZHRSRAPSA-N
XLogP3.79
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.79
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-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-4-(diethylamino)benzamide
CID 6900909
N,N-dimethylformamide;N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide
CID 139068504
4-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide;methanol
CID 139076899
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-hydroxybenzamide
CID 5410903
N-[[4-(dimethylamino)phenyl]methylideneamino]-4-phenylmethoxybenzamide
CID 4932922
N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-4-phenylmethoxybenzamide
CID 6234024
N-[(Z)-(4-hydroxyphenyl)methylideneamino]-4-phenylbenzamide
CID 136661498
N-[(E)-(4-ethylphenyl)methylideneamino]-4-hydroxybenzamide
CID 6906079
1-benzyl-N-[(Z)-(4-hydroxyphenyl)methylideneamino]pyridin-1-ium-4-carboxamide
CID 136661281
N-(benzylideneamino)-4-(diethylaminomethyl)benzamide
CID 165351037
4-hydroxy-N-[(4-methylphenyl)methylideneamino]benzamide
CID 789070
N-[(E)-[4-(dibutylamino)phenyl]methylideneamino]-4-hydroxybenzamide
CID 170647559

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-[benzyl(methyl)amino]phenyl]methylideneamino]-4-hydroxybenzamide?
The IUPAC name of N-[(E)-[4-[benzyl(methyl)amino]phenyl]methylideneamino]-4-hydroxybenzamide (CID 170647573) is N-[(E)-[4-[benzyl(methyl)amino]phenyl]methylideneamino]-4-hydroxybenzamide.
What is the SMILES notation for N-[(E)-[4-[benzyl(methyl)amino]phenyl]methylideneamino]-4-hydroxybenzamide?
The canonical SMILES for N-[(E)-[4-[benzyl(methyl)amino]phenyl]methylideneamino]-4-hydroxybenzamide is CN(Cc1ccccc1)c1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1.
What is the InChIKey of N-[(E)-[4-[benzyl(methyl)amino]phenyl]methylideneamino]-4-hydroxybenzamide?
The InChIKey is KPHQOWWRJUJJPM-HZHRSRAPSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-25(16-18-5-3-2-4-6-18)20-11-7-17(8-12-20)15-23-24-22(27)19-9-13-21(26)14-10-19/h2-15,26H,16H2,1H3,(H,24,27)/b23-15+.
What are the key properties of N-[(E)-[4-[benzyl(methyl)amino]phenyl]methylideneamino]-4-hydroxybenzamide?
N-[(E)-[4-[benzyl(methyl)amino]phenyl]methylideneamino]-4-hydroxybenzamide has a molecular weight of 359.43 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-[benzyl(methyl)amino]phenyl]methylideneamino]-4-hydroxybenzamide is sourced from PubChem (CID 170647573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).