N-(2-ethylphenyl)-N'-[(Z)-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide

C23H26N4O4 — CID 126267880

IUPACN-(2-ethylphenyl)-N'-[(Z)-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide
SMILESCCc1ccccc1NC(=O)C(=O)N/N=C\c1ccc(OCC(=O)N2CCCC2)cc1
InChIInChI=1S/C23H26N4O4/c1-2-18-7-3-4-8-20(18)25-22(29)23(30)26-24-15-17-9-11-19(12-10-17)31-16-21(28)27-13-5-6-14-27/h3-4,7-12,15H,2,5-6,13-14,16H2,1H3,(H,25,29)(H,26,30)/b24-15-
InChIKeyCZGXHQAZKCLGPK-IWIPYMOSSA-N
MW422.49 g/mol
LogP2.34
Rot. Bonds7

About N-(2-ethylphenyl)-N'-[(Z)-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide

N-(2-ethylphenyl)-N'-[(Z)-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide (PubChem CID 126267880) has the molecular formula C23H26N4O4 and a molecular weight of 422.49 g/mol. Its IUPAC name is N-(2-ethylphenyl)-N'-[(Z)-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-N'-[(Z)-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide
PubChem CID126267880
Molecular FormulaC23H26N4O4
Molecular Weight422.49 g/mol
Exact Mass422.20
IUPAC NameN-(2-ethylphenyl)-N'-[(Z)-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide
SMILESCCc1ccccc1NC(=O)C(=O)N/N=C\c1ccc(OCC(=O)N2CCCC2)cc1
InChIInChI=1S/C23H26N4O4/c1-2-18-7-3-4-8-20(18)25-22(29)23(30)26-24-15-17-9-11-19(12-10-17)31-16-21(28)27-13-5-6-14-27/h3-4,7-12,15H,2,5-6,13-14,16H2,1H3,(H,25,29)(H,26,30)/b24-15-
InChIKeyCZGXHQAZKCLGPK-IWIPYMOSSA-N
XLogP2.34
TPSA100.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-fluorophenyl)-N'-[(E)-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide
CID 17202171
N-(2-ethylphenyl)-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide
CID 8988931
N-(4-butoxyphenyl)-N'-[(Z)-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide
CID 126261219
N-(2-ethylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]oxamide
CID 3318922
N'-[(Z)-[4-[2-(2,3-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-ethylphenyl)oxamide
CID 126265471
N-(2,3-dichlorophenyl)-N'-[(Z)-[4-[2-(2-ethylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126276766
N-(2-ethoxyphenyl)-N'-[(Z)-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide
CID 126253651
N-(2-methoxyphenyl)-N'-[(Z)-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide
CID 126167514
N-(2-ethylphenyl)-N'-[(Z)-[2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]oxamide
CID 126265215
N'-[(Z)-[4-[2-(2,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-ethylphenyl)oxamide
CID 126265333
N-(2-ethylphenyl)-N'-[(4-fluorophenyl)methylideneamino]oxamide
CID 4642668
N-(3-chlorophenyl)-N'-[(Z)-[4-[2-(2-ethylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126262528

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-N'-[(Z)-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide?
The IUPAC name of N-(2-ethylphenyl)-N'-[(Z)-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide (CID 126267880) is N-(2-ethylphenyl)-N'-[(Z)-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide.
What is the SMILES notation for N-(2-ethylphenyl)-N'-[(Z)-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide?
The canonical SMILES for N-(2-ethylphenyl)-N'-[(Z)-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide is CCc1ccccc1NC(=O)C(=O)N/N=C\c1ccc(OCC(=O)N2CCCC2)cc1.
What is the InChIKey of N-(2-ethylphenyl)-N'-[(Z)-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide?
The InChIKey is CZGXHQAZKCLGPK-IWIPYMOSSA-N. The full InChI is InChI=1S/C23H26N4O4/c1-2-18-7-3-4-8-20(18)25-22(29)23(30)26-24-15-17-9-11-19(12-10-17)31-16-21(28)27-13-5-6-14-27/h3-4,7-12,15H,2,5-6,13-14,16H2,1H3,(H,25,29)(H,26,30)/b24-15-.
What are the key properties of N-(2-ethylphenyl)-N'-[(Z)-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide?
N-(2-ethylphenyl)-N'-[(Z)-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide has a molecular weight of 422.49 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-N'-[(Z)-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide is sourced from PubChem (CID 126267880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).