2-[(E)-[amino-[3-(morpholin-4-ylmethyl)phenyl]methylidene]amino]oxy-N-[1-(4-chlorophenyl)ethyl]acetamide

C22H27ClN4O3 — CID 60615571

IUPAC2-[(E)-[amino-[3-(morpholin-4-ylmethyl)phenyl]methylidene]amino]oxy-N-[1-(4-chlorophenyl)ethyl]acetamide
SMILESCC(NC(=O)CO/N=C(/N)c1cccc(CN2CCOCC2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C22H27ClN4O3/c1-16(18-5-7-20(23)8-6-18)25-21(28)15-30-26-22(24)19-4-2-3-17(13-19)14-27-9-11-29-12-10-27/h2-8,13,16H,9-12,14-15H2,1H3,(H2,24,26)(H,25,28)
InChIKeyZZUAOMQVGRDFGG-UHFFFAOYSA-N
MW430.94 g/mol
LogP2.69
Rot. Bonds8

About 2-[(E)-[amino-[3-(morpholin-4-ylmethyl)phenyl]methylidene]amino]oxy-N-[1-(4-chlorophenyl)ethyl]acetamide

2-[(E)-[amino-[3-(morpholin-4-ylmethyl)phenyl]methylidene]amino]oxy-N-[1-(4-chlorophenyl)ethyl]acetamide (PubChem CID 60615571) has the molecular formula C22H27ClN4O3 and a molecular weight of 430.94 g/mol. Its IUPAC name is 2-[(E)-[amino-[3-(morpholin-4-ylmethyl)phenyl]methylidene]amino]oxy-N-[1-(4-chlorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(E)-[amino-[3-(morpholin-4-ylmethyl)phenyl]methylidene]amino]oxy-N-[1-(4-chlorophenyl)ethyl]acetamide
PubChem CID60615571
Molecular FormulaC22H27ClN4O3
Molecular Weight430.94 g/mol
Exact Mass430.18
IUPAC Name2-[(E)-[amino-[3-(morpholin-4-ylmethyl)phenyl]methylidene]amino]oxy-N-[1-(4-chlorophenyl)ethyl]acetamide
SMILESCC(NC(=O)CO/N=C(/N)c1cccc(CN2CCOCC2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C22H27ClN4O3/c1-16(18-5-7-20(23)8-6-18)25-21(28)15-30-26-22(24)19-4-2-3-17(13-19)14-27-9-11-29-12-10-27/h2-8,13,16H,9-12,14-15H2,1H3,(H2,24,26)(H,25,28)
InChIKeyZZUAOMQVGRDFGG-UHFFFAOYSA-N
XLogP2.69
TPSA89.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.94
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(Z)-[amino-[3-(piperidin-1-ylmethyl)phenyl]methylidene]amino]oxyacetamide
CID 52767527
2-[[amino-[3-(morpholin-4-ylmethyl)phenyl]methylidene]amino]oxy-N-(3,4-difluorophenyl)propanamide
CID 72692184
N'-[(3-chloro-4-methoxyphenyl)methoxy]-3-(morpholin-4-ylmethyl)benzenecarboximidamide
CID 126799666
N-[1-(4-chlorophenyl)ethyl]-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetamide
CID 42914266
N'-hydroxy-3-(morpholin-4-ylmethyl)benzenecarboximidamide
CID 24694925
3-[[(Z)-[amino-[3-(morpholin-4-ylmethyl)phenyl]methylidene]amino]oxymethyl]-N-(furan-2-ylmethyl)benzamide
CID 134033244
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9130606
N-[1-(4-chlorophenyl)ethyl]-2-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]oxyacetamide
CID 78836405
N-[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]-3-(morpholin-4-ylmethyl)benzamide
CID 125043990
2-[[4-(4-chlorophenyl)-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-phenylethyl)acetamide
CID 2993812
N-[(1R)-1-(4-methylphenyl)propyl]-3-(morpholin-4-ylmethyl)benzamide
CID 94013067
bis[3-(morpholin-4-ylmethyl)phenyl]methanone
CID 152548032

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[amino-[3-(morpholin-4-ylmethyl)phenyl]methylidene]amino]oxy-N-[1-(4-chlorophenyl)ethyl]acetamide?
The IUPAC name of 2-[(E)-[amino-[3-(morpholin-4-ylmethyl)phenyl]methylidene]amino]oxy-N-[1-(4-chlorophenyl)ethyl]acetamide (CID 60615571) is 2-[(E)-[amino-[3-(morpholin-4-ylmethyl)phenyl]methylidene]amino]oxy-N-[1-(4-chlorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-[(E)-[amino-[3-(morpholin-4-ylmethyl)phenyl]methylidene]amino]oxy-N-[1-(4-chlorophenyl)ethyl]acetamide?
The canonical SMILES for 2-[(E)-[amino-[3-(morpholin-4-ylmethyl)phenyl]methylidene]amino]oxy-N-[1-(4-chlorophenyl)ethyl]acetamide is CC(NC(=O)CO/N=C(/N)c1cccc(CN2CCOCC2)c1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(E)-[amino-[3-(morpholin-4-ylmethyl)phenyl]methylidene]amino]oxy-N-[1-(4-chlorophenyl)ethyl]acetamide?
The InChIKey is ZZUAOMQVGRDFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN4O3/c1-16(18-5-7-20(23)8-6-18)25-21(28)15-30-26-22(24)19-4-2-3-17(13-19)14-27-9-11-29-12-10-27/h2-8,13,16H,9-12,14-15H2,1H3,(H2,24,26)(H,25,28).
What are the key properties of 2-[(E)-[amino-[3-(morpholin-4-ylmethyl)phenyl]methylidene]amino]oxy-N-[1-(4-chlorophenyl)ethyl]acetamide?
2-[(E)-[amino-[3-(morpholin-4-ylmethyl)phenyl]methylidene]amino]oxy-N-[1-(4-chlorophenyl)ethyl]acetamide has a molecular weight of 430.94 g/mol, XLogP of 2.69, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[amino-[3-(morpholin-4-ylmethyl)phenyl]methylidene]amino]oxy-N-[1-(4-chlorophenyl)ethyl]acetamide is sourced from PubChem (CID 60615571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).