4-hydroxy-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]benzamide

C18H19N3O3 — CID 6906421

IUPAC4-hydroxy-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1ccc(N2CCOCC2)cc1)c1ccc(O)cc1
InChIInChI=1S/C18H19N3O3/c22-17-7-3-15(4-8-17)18(23)20-19-13-14-1-5-16(6-2-14)21-9-11-24-12-10-21/h1-8,13,22H,9-12H2,(H,20,23)/b19-13+
InChIKeyYITUTHOOEGLGOT-CPNJWEJPSA-N
MW325.37 g/mol
LogP1.99
Rot. Bonds4

About 4-hydroxy-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]benzamide

4-hydroxy-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]benzamide (PubChem CID 6906421) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 4-hydroxy-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-hydroxy-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]benzamide
PubChem CID6906421
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name4-hydroxy-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1ccc(N2CCOCC2)cc1)c1ccc(O)cc1
InChIInChI=1S/C18H19N3O3/c22-17-7-3-15(4-8-17)18(23)20-19-13-14-1-5-16(6-2-14)21-9-11-24-12-10-21/h1-8,13,22H,9-12H2,(H,20,23)/b19-13+
InChIKeyYITUTHOOEGLGOT-CPNJWEJPSA-N
XLogP1.99
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Gsk-9089
CID 5497124
Acyl Hydrazone, 10
CID 11404599
N-[[4-(diethylamino)phenyl]methylideneamino]-4-hydroxybenzamide
CID 644030
N'-{(E)-[4-(dimethylamino)phenyl]methylidene}-4-hydroxybenzohydrazide
CID 6864965
N-{4-[(1E)-1-{2-[(4-hydroxyphenyl)carbonyl]hydrazinylidene}ethyl]phenyl}-2-phenylacetamide
CID 25237598
4-(diethylamino)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]benzamide
CID 135521630
4-methoxy-N'-[4-(methylanilino)benzylidene]benzohydrazide
CID 9558383
N'-[4-(diethylamino)-2-hydroxybenzylidene]benzohydrazide
CID 135472455
N'-(4-(Diethylamino)benzylidene)-2-hydroxybenzohydrazide
CID 6898897
4-methoxy-N'-{1-[4-(1-piperidinyl)phenyl]ethylidene}benzohydrazide
CID 5455519
4-hydroxy-N-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]benzamide
CID 6907661
4-hydroxy-N-[(E)-1-(4-morpholin-4-ylphenyl)ethylideneamino]benzamide
CID 9651220

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]benzamide?
The IUPAC name of 4-hydroxy-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]benzamide (CID 6906421) is 4-hydroxy-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-hydroxy-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-hydroxy-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]benzamide is O=C(N/N=C/c1ccc(N2CCOCC2)cc1)c1ccc(O)cc1.
What is the InChIKey of 4-hydroxy-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]benzamide?
The InChIKey is YITUTHOOEGLGOT-CPNJWEJPSA-N. The full InChI is InChI=1S/C18H19N3O3/c22-17-7-3-15(4-8-17)18(23)20-19-13-14-1-5-16(6-2-14)21-9-11-24-12-10-21/h1-8,13,22H,9-12H2,(H,20,23)/b19-13+.
What are the key properties of 4-hydroxy-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]benzamide?
4-hydroxy-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]benzamide has a molecular weight of 325.37 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]benzamide is sourced from PubChem (CID 6906421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).