N'-[(E)-(2-chlorophenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide

C16H21ClN4O3 — CID 6889750

IUPACN'-[(E)-(2-chlorophenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide
SMILESO=C(NCCCN1CCOCC1)C(=O)N/N=C/c1ccccc1Cl
InChIInChI=1S/C16H21ClN4O3/c17-14-5-2-1-4-13(14)12-19-20-16(23)15(22)18-6-3-7-21-8-10-24-11-9-21/h1-2,4-5,12H,3,6-11H2,(H,18,22)(H,20,23)/b19-12+
InChIKeyXNFQPYSGAOHASC-XDHOZWIPSA-N
MW352.82 g/mol
LogP0.63
Rot. Bonds6

About N'-[(E)-(2-chlorophenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide

N'-[(E)-(2-chlorophenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide (PubChem CID 6889750) has the molecular formula C16H21ClN4O3 and a molecular weight of 352.82 g/mol. Its IUPAC name is N'-[(E)-(2-chlorophenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide.

Molecular Properties

Compound NameN'-[(E)-(2-chlorophenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide
PubChem CID6889750
Molecular FormulaC16H21ClN4O3
Molecular Weight352.82 g/mol
Exact Mass352.13
IUPAC NameN'-[(E)-(2-chlorophenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide
SMILESO=C(NCCCN1CCOCC1)C(=O)N/N=C/c1ccccc1Cl
InChIInChI=1S/C16H21ClN4O3/c17-14-5-2-1-4-13(14)12-19-20-16(23)15(22)18-6-3-7-21-8-10-24-11-9-21/h1-2,4-5,12H,3,6-11H2,(H,18,22)(H,20,23)/b19-12+
InChIKeyXNFQPYSGAOHASC-XDHOZWIPSA-N
XLogP0.63
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.82
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-Piperidineacetic acid, alpha-oxo-, ((2-chlorophenyl)methylene)hydrazide, (E)-
CID 5333302
2-[3-(4-Chlorophenyl)-6-oxo-1,6-dihydropyridazin-1-YL]-N-[2-(morpholin-4-YL)ethyl]acetamide
CID 4422325
2-[(2E)-2-(4-fluorobenzylidene)hydrazinyl]-N-[3-(morpholin-4-yl)propyl]-2-oxoacetamide
CID 9593899
N-[3-(morpholin-4-yl)propyl]-2-oxo-2-{(2E)-2-[4-(propan-2-yl)benzylidene]hydrazinyl}acetamide
CID 6889705
2-[(2E)-2-(2,6-dichlorobenzylidene)hydrazinyl]-N-[3-(morpholin-4-yl)propyl]-2-oxoacetamide
CID 9593901
2-[(2E)-2-benzylidenehydrazinyl]-N-[3-(morpholin-4-yl)propyl]-2-oxoacetamide
CID 17588353
2-[(2E)-2-(4-tert-butylbenzylidene)hydrazinyl]-N-[3-(morpholin-4-yl)propyl]-2-oxoacetamide
CID 9635663
2-[(2E)-2-(4-ethylbenzylidene)hydrazinyl]-N-[3-(morpholin-4-yl)propyl]-2-oxoacetamide
CID 6889659
N-[(Z)-(4-chlorophenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 5906351
N'-[(E)-(4-chlorophenyl)methylidene]-2-(morpholin-4-yl)acetohydrazide
CID 9633104
2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 20968205
N'-[(4-fluorophenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide
CID 3128227

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-(2-chlorophenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide?
The IUPAC name of N'-[(E)-(2-chlorophenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide (CID 6889750) is N'-[(E)-(2-chlorophenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide.
What is the SMILES notation for N'-[(E)-(2-chlorophenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide?
The canonical SMILES for N'-[(E)-(2-chlorophenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide is O=C(NCCCN1CCOCC1)C(=O)N/N=C/c1ccccc1Cl.
What is the InChIKey of N'-[(E)-(2-chlorophenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide?
The InChIKey is XNFQPYSGAOHASC-XDHOZWIPSA-N. The full InChI is InChI=1S/C16H21ClN4O3/c17-14-5-2-1-4-13(14)12-19-20-16(23)15(22)18-6-3-7-21-8-10-24-11-9-21/h1-2,4-5,12H,3,6-11H2,(H,18,22)(H,20,23)/b19-12+.
What are the key properties of N'-[(E)-(2-chlorophenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide?
N'-[(E)-(2-chlorophenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide has a molecular weight of 352.82 g/mol, XLogP of 0.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-(2-chlorophenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide is sourced from PubChem (CID 6889750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).