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

C18H26N4O3 — CID 6889659

IUPACN'-[(E)-(4-ethylphenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide
SMILESCCc1ccc(/C=N/NC(=O)C(=O)NCCCN2CCOCC2)cc1
InChIInChI=1S/C18H26N4O3/c1-2-15-4-6-16(7-5-15)14-20-21-18(24)17(23)19-8-3-9-22-10-12-25-13-11-22/h4-7,14H,2-3,8-13H2,1H3,(H,19,23)(H,21,24)/b20-14+
InChIKeyPRKDWUGMAIFIPL-XSFVSMFZSA-N
MW346.43 g/mol
LogP0.54
Rot. Bonds7

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

N'-[(E)-(4-ethylphenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide (PubChem CID 6889659) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is N'-[(E)-(4-ethylphenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide.

Molecular Properties

Compound NameN'-[(E)-(4-ethylphenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide
PubChem CID6889659
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC NameN'-[(E)-(4-ethylphenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide
SMILESCCc1ccc(/C=N/NC(=O)C(=O)NCCCN2CCOCC2)cc1
InChIInChI=1S/C18H26N4O3/c1-2-15-4-6-16(7-5-15)14-20-21-18(24)17(23)19-8-3-9-22-10-12-25-13-11-22/h4-7,14H,2-3,8-13H2,1H3,(H,19,23)(H,21,24)/b20-14+
InChIKeyPRKDWUGMAIFIPL-XSFVSMFZSA-N
XLogP0.54
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 50.54
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
2-(2,6-dimethylmorpholino)-N'-(diphenylmethylene)acetohydrazide
CID 3696769
N'-(diphenylmethylene)-2-morpholinopropanohydrazide
CID 3784892
N-(3-morpholin-4-ylpropyl)-2-(6-oxo-3-phenylpyridazin-1(6H)-yl)acetamide
CID 4060999
(E)-N'-benzylidene-2-morpholinoacetohydrazide
CID 9642745
N'-(diphenylmethylene)-2-morpholinoacetohydrazide
CID 1487616
N-(2-Methoxy-ethyl)-2-(6-oxo-3-p-tolyl-6H-pyridazin-1-yl)-acetamide
CID 3154555
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
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

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-(4-ethylphenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide?
The IUPAC name of N'-[(E)-(4-ethylphenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide (CID 6889659) is N'-[(E)-(4-ethylphenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide.
What is the SMILES notation for N'-[(E)-(4-ethylphenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide?
The canonical SMILES for N'-[(E)-(4-ethylphenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide is CCc1ccc(/C=N/NC(=O)C(=O)NCCCN2CCOCC2)cc1.
What is the InChIKey of N'-[(E)-(4-ethylphenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide?
The InChIKey is PRKDWUGMAIFIPL-XSFVSMFZSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-2-15-4-6-16(7-5-15)14-20-21-18(24)17(23)19-8-3-9-22-10-12-25-13-11-22/h4-7,14H,2-3,8-13H2,1H3,(H,19,23)(H,21,24)/b20-14+.
What are the key properties of N'-[(E)-(4-ethylphenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide?
N'-[(E)-(4-ethylphenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide has a molecular weight of 346.43 g/mol, XLogP of 0.54, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-(4-ethylphenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide is sourced from PubChem (CID 6889659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).