N-[1-(4-chlorophenyl)ethyl]-2-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]oxyacetamide

C21H24ClN3O3 — CID 78836405

IUPACN-[1-(4-chlorophenyl)ethyl]-2-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]oxyacetamide
SMILESCC(NC(=O)CO/N=C/c1ccc(N2CCOCC2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C21H24ClN3O3/c1-16(18-4-6-19(22)7-5-18)24-21(26)15-28-23-14-17-2-8-20(9-3-17)25-10-12-27-13-11-25/h2-9,14,16H,10-13,15H2,1H3,(H,24,26)/b23-14+
InChIKeyGGRKSBLZYAIVLQ-OEAKJJBVSA-N
MW401.89 g/mol
LogP3.40
Rot. Bonds7

About N-[1-(4-chlorophenyl)ethyl]-2-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]oxyacetamide

N-[1-(4-chlorophenyl)ethyl]-2-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]oxyacetamide (PubChem CID 78836405) has the molecular formula C21H24ClN3O3 and a molecular weight of 401.89 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-2-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]oxyacetamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-2-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]oxyacetamide
PubChem CID78836405
Molecular FormulaC21H24ClN3O3
Molecular Weight401.89 g/mol
Exact Mass401.15
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-2-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]oxyacetamide
SMILESCC(NC(=O)CO/N=C/c1ccc(N2CCOCC2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C21H24ClN3O3/c1-16(18-4-6-19(22)7-5-18)24-21(26)15-28-23-14-17-2-8-20(9-3-17)25-10-12-27-13-11-25/h2-9,14,16H,10-13,15H2,1H3,(H,24,26)/b23-14+
InChIKeyGGRKSBLZYAIVLQ-OEAKJJBVSA-N
XLogP3.40
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.89
LogP ≤ 53.40
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-[(4-morpholin-4-ylphenyl)methylideneamino]oxyacetamide
CID 78766726
2-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]oxy-N-(2-phenylphenyl)acetamide
CID 78766512
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8593396
2-(4-chlorophenoxy)-N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]acetamide
CID 99993525
2-(4-chlorophenoxy)-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]acetamide
CID 132658442
2-[(E)-benzylideneamino]oxy-N-[1-(3-chlorophenyl)ethyl]acetamide
CID 24606303
2-(5-chloro-2-morpholin-4-ylanilino)-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 55365315
[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium
CID 8711796
2-(3-chloro-2-morpholin-4-ylanilino)-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 55566312
methyl 4-[(E)-[2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxoethoxy]iminomethyl]benzoate
CID 24606431
N-[1-(4-chlorophenyl)ethyl]-2-methoxyacetamide
CID 18374039
2-[(E)-[amino-[3-(morpholin-4-ylmethyl)phenyl]methylidene]amino]oxy-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 60615571

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-2-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]oxyacetamide?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-2-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]oxyacetamide (CID 78836405) is N-[1-(4-chlorophenyl)ethyl]-2-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]oxyacetamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-2-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]oxyacetamide?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-2-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]oxyacetamide is CC(NC(=O)CO/N=C/c1ccc(N2CCOCC2)cc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-2-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]oxyacetamide?
The InChIKey is GGRKSBLZYAIVLQ-OEAKJJBVSA-N. The full InChI is InChI=1S/C21H24ClN3O3/c1-16(18-4-6-19(22)7-5-18)24-21(26)15-28-23-14-17-2-8-20(9-3-17)25-10-12-27-13-11-25/h2-9,14,16H,10-13,15H2,1H3,(H,24,26)/b23-14+.
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-2-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]oxyacetamide?
N-[1-(4-chlorophenyl)ethyl]-2-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]oxyacetamide has a molecular weight of 401.89 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-2-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]oxyacetamide is sourced from PubChem (CID 78836405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).