N'-[(4-fluorophenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide

C16H21FN4O3 — CID 3128227

IUPACN'-[(4-fluorophenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide
SMILESO=C(NCCCN1CCOCC1)C(=O)NN=Cc1ccc(F)cc1
InChIInChI=1S/C16H21FN4O3/c17-14-4-2-13(3-5-14)12-19-20-16(23)15(22)18-6-1-7-21-8-10-24-11-9-21/h2-5,12H,1,6-11H2,(H,18,22)(H,20,23)
InChIKeyRTRCIHGFGIHIRQ-UHFFFAOYSA-N
MW336.37 g/mol
LogP0.11
Rot. Bonds6

About N'-[(4-fluorophenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide

N'-[(4-fluorophenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide (PubChem CID 3128227) has the molecular formula C16H21FN4O3 and a molecular weight of 336.37 g/mol. Its IUPAC name is N'-[(4-fluorophenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide.

Molecular Properties

Compound NameN'-[(4-fluorophenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide
PubChem CID3128227
Molecular FormulaC16H21FN4O3
Molecular Weight336.37 g/mol
Exact Mass336.16
IUPAC NameN'-[(4-fluorophenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide
SMILESO=C(NCCCN1CCOCC1)C(=O)NN=Cc1ccc(F)cc1
InChIInChI=1S/C16H21FN4O3/c17-14-4-2-13(3-5-14)12-19-20-16(23)15(22)18-6-1-7-21-8-10-24-11-9-21/h2-5,12H,1,6-11H2,(H,18,22)(H,20,23)
InChIKeyRTRCIHGFGIHIRQ-UHFFFAOYSA-N
XLogP0.11
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 50.11
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

N-(3-morpholin-4-ylpropyl)-N'-[(E)-naphthalen-1-ylmethylideneamino]oxamide
CID 6881453
N'-[(E)-(2-chlorophenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide
CID 6889750
N-(3-morpholin-4-ylpropyl)-2-(6-oxo-3-phenylpyridazin-1(6H)-yl)acetamide
CID 4060999
(E)-N'-benzylidene-2-morpholinoacetohydrazide
CID 9642745
(E)-N'-((E)-2-bromo-3-phenylallylidene)-2-morpholinoacetohydrazide
CID 9692963
N'-(3,4-difluorobenzylidene)-2-(4-methyl-1-piperazinyl)acetohydrazide
CID 6894489
N'-(2,4-difluorobenzylidene)-2-(4-ethyl-1-piperazinyl)acetohydrazide
CID 6894556
N-(2-Methoxy-ethyl)-2-oxo-2-[N'-(2-trifluoromethyl-benzylidene)-hydrazino]-acetamide
CID 9593473
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-morpholin-4-yl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
CID 9593702
2-[(2E)-2-(2,6-dichlorobenzylidene)hydrazinyl]-N-[3-(morpholin-4-yl)propyl]-2-oxoacetamide
CID 9593901

Frequently Asked Questions

What is the IUPAC name of N'-[(4-fluorophenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide?
The IUPAC name of N'-[(4-fluorophenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide (CID 3128227) is N'-[(4-fluorophenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide.
What is the SMILES notation for N'-[(4-fluorophenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide?
The canonical SMILES for N'-[(4-fluorophenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide is O=C(NCCCN1CCOCC1)C(=O)NN=Cc1ccc(F)cc1.
What is the InChIKey of N'-[(4-fluorophenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide?
The InChIKey is RTRCIHGFGIHIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4O3/c17-14-4-2-13(3-5-14)12-19-20-16(23)15(22)18-6-1-7-21-8-10-24-11-9-21/h2-5,12H,1,6-11H2,(H,18,22)(H,20,23).
What are the key properties of N'-[(4-fluorophenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide?
N'-[(4-fluorophenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide has a molecular weight of 336.37 g/mol, XLogP of 0.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-fluorophenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide is sourced from PubChem (CID 3128227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).