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

C19H28N4O3 — CID 6889705

IUPACN-(3-morpholin-4-ylpropyl)-N'-[(E)-(4-propan-2-ylphenyl)methylideneamino]oxamide
SMILESCC(C)c1ccc(/C=N/NC(=O)C(=O)NCCCN2CCOCC2)cc1
InChIInChI=1S/C19H28N4O3/c1-15(2)17-6-4-16(5-7-17)14-21-22-19(25)18(24)20-8-3-9-23-10-12-26-13-11-23/h4-7,14-15H,3,8-13H2,1-2H3,(H,20,24)(H,22,25)/b21-14+
InChIKeyUOPICHLYHLTQDX-KGENOOAVSA-N
MW360.46 g/mol
LogP1.10
Rot. Bonds7

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

N-(3-morpholin-4-ylpropyl)-N'-[(E)-(4-propan-2-ylphenyl)methylideneamino]oxamide (PubChem CID 6889705) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-N'-[(E)-(4-propan-2-ylphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-N'-[(E)-(4-propan-2-ylphenyl)methylideneamino]oxamide
PubChem CID6889705
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC NameN-(3-morpholin-4-ylpropyl)-N'-[(E)-(4-propan-2-ylphenyl)methylideneamino]oxamide
SMILESCC(C)c1ccc(/C=N/NC(=O)C(=O)NCCCN2CCOCC2)cc1
InChIInChI=1S/C19H28N4O3/c1-15(2)17-6-4-16(5-7-17)14-21-22-19(25)18(24)20-8-3-9-23-10-12-26-13-11-23/h4-7,14-15H,3,8-13H2,1-2H3,(H,20,24)(H,22,25)/b21-14+
InChIKeyUOPICHLYHLTQDX-KGENOOAVSA-N
XLogP1.10
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 51.10
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
2-[(2E)-2-(4-fluorobenzylidene)hydrazinyl]-N-[3-(morpholin-4-yl)propyl]-2-oxoacetamide
CID 9593899
2-[(2E)-2-(anthracen-9-ylmethylidene)hydrazinyl]-N-[3-(morpholin-4-yl)propyl]-2-oxoacetamide
CID 6889314
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
4-Morpholineacetic acid, 2-(2,4,6-trimethylbenzylidine)hydrazide, hydrochloride
CID 9588175
4-Morpholineacetic acid, ((2,3,5,6-tetramethylphenyl)methylene)hydrazide
CID 9588178
2-[(2E)-2-(4-ethylbenzylidene)hydrazinyl]-N-[3-(morpholin-4-yl)propyl]-2-oxoacetamide
CID 6889659
N'-[(4-fluorophenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide
CID 3128227

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-N'-[(E)-(4-propan-2-ylphenyl)methylideneamino]oxamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-N'-[(E)-(4-propan-2-ylphenyl)methylideneamino]oxamide (CID 6889705) is N-(3-morpholin-4-ylpropyl)-N'-[(E)-(4-propan-2-ylphenyl)methylideneamino]oxamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-N'-[(E)-(4-propan-2-ylphenyl)methylideneamino]oxamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-N'-[(E)-(4-propan-2-ylphenyl)methylideneamino]oxamide is CC(C)c1ccc(/C=N/NC(=O)C(=O)NCCCN2CCOCC2)cc1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-N'-[(E)-(4-propan-2-ylphenyl)methylideneamino]oxamide?
The InChIKey is UOPICHLYHLTQDX-KGENOOAVSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-15(2)17-6-4-16(5-7-17)14-21-22-19(25)18(24)20-8-3-9-23-10-12-26-13-11-23/h4-7,14-15H,3,8-13H2,1-2H3,(H,20,24)(H,22,25)/b21-14+.
What are the key properties of N-(3-morpholin-4-ylpropyl)-N'-[(E)-(4-propan-2-ylphenyl)methylideneamino]oxamide?
N-(3-morpholin-4-ylpropyl)-N'-[(E)-(4-propan-2-ylphenyl)methylideneamino]oxamide has a molecular weight of 360.46 g/mol, XLogP of 1.10, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-N'-[(E)-(4-propan-2-ylphenyl)methylideneamino]oxamide is sourced from PubChem (CID 6889705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).