N-(2-ethoxyphenyl)-N'-[(Z)-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide

C23H26N4O5 — CID 126253651

IUPACN-(2-ethoxyphenyl)-N'-[(Z)-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide
SMILESCCOc1ccccc1NC(=O)C(=O)N/N=C\c1cccc(OCC(=O)N2CCCC2)c1
InChIInChI=1S/C23H26N4O5/c1-2-31-20-11-4-3-10-19(20)25-22(29)23(30)26-24-15-17-8-7-9-18(14-17)32-16-21(28)27-12-5-6-13-27/h3-4,7-11,14-15H,2,5-6,12-13,16H2,1H3,(H,25,29)(H,26,30)/b24-15-
InChIKeyCKOPEWIWMTUDFG-IWIPYMOSSA-N
MW438.48 g/mol
LogP2.18
Rot. Bonds8

About N-(2-ethoxyphenyl)-N'-[(Z)-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide

N-(2-ethoxyphenyl)-N'-[(Z)-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide (PubChem CID 126253651) has the molecular formula C23H26N4O5 and a molecular weight of 438.48 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-N'-[(Z)-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-N'-[(Z)-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide
PubChem CID126253651
Molecular FormulaC23H26N4O5
Molecular Weight438.48 g/mol
Exact Mass438.19
IUPAC NameN-(2-ethoxyphenyl)-N'-[(Z)-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide
SMILESCCOc1ccccc1NC(=O)C(=O)N/N=C\c1cccc(OCC(=O)N2CCCC2)c1
InChIInChI=1S/C23H26N4O5/c1-2-31-20-11-4-3-10-19(20)25-22(29)23(30)26-24-15-17-8-7-9-18(14-17)32-16-21(28)27-12-5-6-13-27/h3-4,7-11,14-15H,2,5-6,12-13,16H2,1H3,(H,25,29)(H,26,30)/b24-15-
InChIKeyCKOPEWIWMTUDFG-IWIPYMOSSA-N
XLogP2.18
TPSA109.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 52.18
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-(2-methoxyphenyl)-N'-[(Z)-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide
CID 126167514
N-(2,3-dichlorophenyl)-N'-[(Z)-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide
CID 126262790
N'-[(Z)-[3-[2-(4-ethoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-ethoxyphenyl)oxamide
CID 126262038
N-(4-methoxyphenyl)-N'-[(Z)-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide
CID 126274690
N'-[(Z)-[3-[2-(3-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-ethoxyphenyl)oxamide
CID 126279386
N-(2-ethylphenyl)-N'-[(Z)-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide
CID 126267880
N'-[(Z)-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]-N-(4-prop-2-enoxyphenyl)oxamide
CID 126263814
N'-[(Z)-(3-ethoxyphenyl)methylideneamino]-N-(2-methylphenyl)oxamide
CID 8932252
2-ethoxy-5-[(Z)-[[2-(2-ethoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoic acid
CID 8897777
N-(2-fluorophenyl)-N'-[(E)-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide
CID 17202171
N'-[(Z)-[3-[2-(4-ethoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-ethylphenyl)oxamide
CID 126273567
N-(2-ethoxyphenyl)-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]oxamide
CID 135554201

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-N'-[(Z)-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide?
The IUPAC name of N-(2-ethoxyphenyl)-N'-[(Z)-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide (CID 126253651) is N-(2-ethoxyphenyl)-N'-[(Z)-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-N'-[(Z)-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-N'-[(Z)-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide is CCOc1ccccc1NC(=O)C(=O)N/N=C\c1cccc(OCC(=O)N2CCCC2)c1.
What is the InChIKey of N-(2-ethoxyphenyl)-N'-[(Z)-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide?
The InChIKey is CKOPEWIWMTUDFG-IWIPYMOSSA-N. The full InChI is InChI=1S/C23H26N4O5/c1-2-31-20-11-4-3-10-19(20)25-22(29)23(30)26-24-15-17-8-7-9-18(14-17)32-16-21(28)27-12-5-6-13-27/h3-4,7-11,14-15H,2,5-6,12-13,16H2,1H3,(H,25,29)(H,26,30)/b24-15-.
What are the key properties of N-(2-ethoxyphenyl)-N'-[(Z)-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide?
N-(2-ethoxyphenyl)-N'-[(Z)-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide has a molecular weight of 438.48 g/mol, XLogP of 2.18, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-N'-[(Z)-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide is sourced from PubChem (CID 126253651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).