N-[(3-chlorophenyl)methyl]-2-[(4-morpholin-4-ylphenyl)methylideneamino]oxyacetamide

C20H22ClN3O3 — CID 78766726

IUPACN-[(3-chlorophenyl)methyl]-2-[(4-morpholin-4-ylphenyl)methylideneamino]oxyacetamide
SMILESO=C(CON=Cc1ccc(N2CCOCC2)cc1)NCc1cccc(Cl)c1
InChIInChI=1S/C20H22ClN3O3/c21-18-3-1-2-17(12-18)13-22-20(25)15-27-23-14-16-4-6-19(7-5-16)24-8-10-26-11-9-24/h1-7,12,14H,8-11,13,15H2,(H,22,25)
InChIKeyFYSSAIXBQHMIIZ-UHFFFAOYSA-N
MW387.87 g/mol
LogP2.84
Rot. Bonds7

About N-[(3-chlorophenyl)methyl]-2-[(4-morpholin-4-ylphenyl)methylideneamino]oxyacetamide

N-[(3-chlorophenyl)methyl]-2-[(4-morpholin-4-ylphenyl)methylideneamino]oxyacetamide (PubChem CID 78766726) has the molecular formula C20H22ClN3O3 and a molecular weight of 387.87 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2-[(4-morpholin-4-ylphenyl)methylideneamino]oxyacetamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2-[(4-morpholin-4-ylphenyl)methylideneamino]oxyacetamide
PubChem CID78766726
Molecular FormulaC20H22ClN3O3
Molecular Weight387.87 g/mol
Exact Mass387.13
IUPAC NameN-[(3-chlorophenyl)methyl]-2-[(4-morpholin-4-ylphenyl)methylideneamino]oxyacetamide
SMILESO=C(CON=Cc1ccc(N2CCOCC2)cc1)NCc1cccc(Cl)c1
InChIInChI=1S/C20H22ClN3O3/c21-18-3-1-2-17(12-18)13-22-20(25)15-27-23-14-16-4-6-19(7-5-16)24-8-10-26-11-9-24/h1-7,12,14H,8-11,13,15H2,(H,22,25)
InChIKeyFYSSAIXBQHMIIZ-UHFFFAOYSA-N
XLogP2.84
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 52.84
H-Bond Donors ≤ 51
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

N-[(3-chlorophenyl)methyl]-2-[(Z)-(4-ethylphenyl)methylideneamino]oxyacetamide
CID 7699104
N-[1-(4-chlorophenyl)ethyl]-2-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]oxyacetamide
CID 78836405
2-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]oxy-N-(2-phenylphenyl)acetamide
CID 78766512
N-ethyl-2-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]oxy-N-naphthalen-1-ylacetamide
CID 78766692
N-[(3-chlorophenyl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide
CID 9401810
2-[(E)-benzylideneamino]oxy-N-[(3-methoxyphenyl)methyl]acetamide
CID 24606299
2-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxy-N-(4-morpholin-4-ylphenyl)acetamide
CID 42971257
N-[(3-chlorophenyl)methyl]-6-(6-morpholin-4-yl-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide
CID 4099135
N-[(3-chlorophenyl)methyl]-4-phenylpiperazine-1-carboxamide
CID 110301195
N-[(3-chlorophenyl)methyl]-2-methoxyacetamide
CID 60636717
N-[(2-chlorophenyl)methoxy]-1-(4-morpholin-4-ylphenyl)methanimine
CID 78766659
2-(3-chlorophenyl)-N-(2,6-dimethyl-4-morpholin-4-ylphenyl)acetamide
CID 11624654

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2-[(4-morpholin-4-ylphenyl)methylideneamino]oxyacetamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2-[(4-morpholin-4-ylphenyl)methylideneamino]oxyacetamide (CID 78766726) is N-[(3-chlorophenyl)methyl]-2-[(4-morpholin-4-ylphenyl)methylideneamino]oxyacetamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2-[(4-morpholin-4-ylphenyl)methylideneamino]oxyacetamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2-[(4-morpholin-4-ylphenyl)methylideneamino]oxyacetamide is O=C(CON=Cc1ccc(N2CCOCC2)cc1)NCc1cccc(Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2-[(4-morpholin-4-ylphenyl)methylideneamino]oxyacetamide?
The InChIKey is FYSSAIXBQHMIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O3/c21-18-3-1-2-17(12-18)13-22-20(25)15-27-23-14-16-4-6-19(7-5-16)24-8-10-26-11-9-24/h1-7,12,14H,8-11,13,15H2,(H,22,25).
What are the key properties of N-[(3-chlorophenyl)methyl]-2-[(4-morpholin-4-ylphenyl)methylideneamino]oxyacetamide?
N-[(3-chlorophenyl)methyl]-2-[(4-morpholin-4-ylphenyl)methylideneamino]oxyacetamide has a molecular weight of 387.87 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2-[(4-morpholin-4-ylphenyl)methylideneamino]oxyacetamide is sourced from PubChem (CID 78766726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).