N-(2-ethylphenyl)-N'-[(Z)-[2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]oxamide

C23H26N4O5 — CID 126265215

IUPACN-(2-ethylphenyl)-N'-[(Z)-[2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]oxamide
SMILESCCc1ccccc1NC(=O)C(=O)N/N=C\c1ccccc1OCC(=O)N1CCOCC1
InChIInChI=1S/C23H26N4O5/c1-2-17-7-3-5-9-19(17)25-22(29)23(30)26-24-15-18-8-4-6-10-20(18)32-16-21(28)27-11-13-31-14-12-27/h3-10,15H,2,11-14,16H2,1H3,(H,25,29)(H,26,30)/b24-15-
InChIKeyZABSCLLFLIQCOM-IWIPYMOSSA-N
MW438.48 g/mol
LogP1.58
Rot. Bonds7

About N-(2-ethylphenyl)-N'-[(Z)-[2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]oxamide

N-(2-ethylphenyl)-N'-[(Z)-[2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]oxamide (PubChem CID 126265215) has the molecular formula C23H26N4O5 and a molecular weight of 438.48 g/mol. Its IUPAC name is N-(2-ethylphenyl)-N'-[(Z)-[2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]oxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-N'-[(Z)-[2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]oxamide
PubChem CID126265215
Molecular FormulaC23H26N4O5
Molecular Weight438.48 g/mol
Exact Mass438.19
IUPAC NameN-(2-ethylphenyl)-N'-[(Z)-[2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]oxamide
SMILESCCc1ccccc1NC(=O)C(=O)N/N=C\c1ccccc1OCC(=O)N1CCOCC1
InChIInChI=1S/C23H26N4O5/c1-2-17-7-3-5-9-19(17)25-22(29)23(30)26-24-15-18-8-4-6-10-20(18)32-16-21(28)27-11-13-31-14-12-27/h3-10,15H,2,11-14,16H2,1H3,(H,25,29)(H,26,30)/b24-15-
InChIKeyZABSCLLFLIQCOM-IWIPYMOSSA-N
XLogP1.58
TPSA109.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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'-[(Z)-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-N-(2-methoxyphenyl)oxamide
CID 126157320
N'-[(Z)-[2-[2-(2-ethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-fluorophenyl)oxamide
CID 126266532
N-(2-ethylphenyl)-N'-[(Z)-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide
CID 126267880
N-[2-(morpholine-4-carbonyl)phenyl]-N'-[(Z)-(2-prop-2-enoxyphenyl)methylideneamino]oxamide
CID 6018951
N'-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(2-ethylphenyl)oxamide
CID 4319718
N'-[(Z)-[2-[2-(2-ethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 126256565
N'-[(Z)-[3-bromo-5-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-N-(2-fluorophenyl)oxamide
CID 126163140
N-(2-ethylphenyl)-N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]oxamide
CID 135554301
N-(2-ethylphenyl)-N'-[(Z)-(2-methylphenyl)methylideneamino]oxamide
CID 8898860
N-(2,6-diethylphenyl)-N'-[(Z)-(2-propoxyphenyl)methylideneamino]oxamide
CID 8988802
2-[2-[(Z)-[[2-(2-ethoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 8989610
N-(2-ethoxyphenyl)-N'-[(Z)-(2-propoxyphenyl)methylideneamino]oxamide
CID 8988821

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-N'-[(Z)-[2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]oxamide?
The IUPAC name of N-(2-ethylphenyl)-N'-[(Z)-[2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]oxamide (CID 126265215) is N-(2-ethylphenyl)-N'-[(Z)-[2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]oxamide.
What is the SMILES notation for N-(2-ethylphenyl)-N'-[(Z)-[2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]oxamide?
The canonical SMILES for N-(2-ethylphenyl)-N'-[(Z)-[2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]oxamide is CCc1ccccc1NC(=O)C(=O)N/N=C\c1ccccc1OCC(=O)N1CCOCC1.
What is the InChIKey of N-(2-ethylphenyl)-N'-[(Z)-[2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]oxamide?
The InChIKey is ZABSCLLFLIQCOM-IWIPYMOSSA-N. The full InChI is InChI=1S/C23H26N4O5/c1-2-17-7-3-5-9-19(17)25-22(29)23(30)26-24-15-18-8-4-6-10-20(18)32-16-21(28)27-11-13-31-14-12-27/h3-10,15H,2,11-14,16H2,1H3,(H,25,29)(H,26,30)/b24-15-.
What are the key properties of N-(2-ethylphenyl)-N'-[(Z)-[2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]oxamide?
N-(2-ethylphenyl)-N'-[(Z)-[2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]oxamide has a molecular weight of 438.48 g/mol, XLogP of 1.58, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-N'-[(Z)-[2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]oxamide is sourced from PubChem (CID 126265215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).