N'-[(Z)-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]-N-(4-prop-2-enoxyphenyl)oxamide

C24H26N4O5 — CID 126263814

IUPACN'-[(Z)-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]-N-(4-prop-2-enoxyphenyl)oxamide
SMILESC=CCOc1ccc(NC(=O)C(=O)N/N=C\c2cccc(OCC(=O)N3CCCC3)c2)cc1
InChIInChI=1S/C24H26N4O5/c1-2-14-32-20-10-8-19(9-11-20)26-23(30)24(31)27-25-16-18-6-5-7-21(15-18)33-17-22(29)28-12-3-4-13-28/h2,5-11,15-16H,1,3-4,12-14,17H2,(H,26,30)(H,27,31)/b25-16-
InChIKeyTURZRDPKGLIEDQ-XYGWBWBKSA-N
MW450.50 g/mol
LogP2.34
Rot. Bonds9

About N'-[(Z)-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]-N-(4-prop-2-enoxyphenyl)oxamide

N'-[(Z)-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]-N-(4-prop-2-enoxyphenyl)oxamide (PubChem CID 126263814) has the molecular formula C24H26N4O5 and a molecular weight of 450.50 g/mol. Its IUPAC name is N'-[(Z)-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]-N-(4-prop-2-enoxyphenyl)oxamide.

Molecular Properties

Compound NameN'-[(Z)-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]-N-(4-prop-2-enoxyphenyl)oxamide
PubChem CID126263814
Molecular FormulaC24H26N4O5
Molecular Weight450.50 g/mol
Exact Mass450.19
IUPAC NameN'-[(Z)-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]-N-(4-prop-2-enoxyphenyl)oxamide
SMILESC=CCOc1ccc(NC(=O)C(=O)N/N=C\c2cccc(OCC(=O)N3CCCC3)c2)cc1
InChIInChI=1S/C24H26N4O5/c1-2-14-32-20-10-8-19(9-11-20)26-23(30)24(31)27-25-16-18-6-5-7-21(15-18)33-17-22(29)28-12-3-4-13-28/h2,5-11,15-16H,1,3-4,12-14,17H2,(H,26,30)(H,27,31)/b25-16-
InChIKeyTURZRDPKGLIEDQ-XYGWBWBKSA-N
XLogP2.34
TPSA109.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 52.34
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-methoxyphenyl)-N'-[(Z)-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide
CID 126274690
N'-[(Z)-(3-ethoxyphenyl)methylideneamino]-N-(4-prop-2-enoxyphenyl)oxamide
CID 8932304
N-(4-chlorophenyl)-N'-[(Z)-(3-prop-2-enoxyphenyl)methylideneamino]oxamide
CID 6002264
N-(4-chlorophenyl)-N'-[(3-prop-2-enoxyphenyl)methylideneamino]oxamide
CID 4068824
N-(4-bromophenyl)-N'-[(3-prop-2-enoxyphenyl)methylideneamino]oxamide
CID 4600648
N'-[(Z)-[3-[2-(2,3-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-prop-2-enoxyphenyl)oxamide
CID 126178446
N-(2,3-dichlorophenyl)-N'-[(Z)-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide
CID 126262790
N-(2-methoxyphenyl)-N'-[(Z)-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide
CID 126167514
N-(2-ethoxyphenyl)-N'-[(Z)-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide
CID 126253651
N-(4-butoxyphenyl)-N'-[(Z)-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide
CID 126261219
N-(4-prop-2-enoxyphenyl)-N'-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide
CID 8989337
N-(2-fluorophenyl)-N'-[(E)-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide
CID 17202171

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]-N-(4-prop-2-enoxyphenyl)oxamide?
The IUPAC name of N'-[(Z)-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]-N-(4-prop-2-enoxyphenyl)oxamide (CID 126263814) is N'-[(Z)-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]-N-(4-prop-2-enoxyphenyl)oxamide.
What is the SMILES notation for N'-[(Z)-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]-N-(4-prop-2-enoxyphenyl)oxamide?
The canonical SMILES for N'-[(Z)-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]-N-(4-prop-2-enoxyphenyl)oxamide is C=CCOc1ccc(NC(=O)C(=O)N/N=C\c2cccc(OCC(=O)N3CCCC3)c2)cc1.
What is the InChIKey of N'-[(Z)-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]-N-(4-prop-2-enoxyphenyl)oxamide?
The InChIKey is TURZRDPKGLIEDQ-XYGWBWBKSA-N. The full InChI is InChI=1S/C24H26N4O5/c1-2-14-32-20-10-8-19(9-11-20)26-23(30)24(31)27-25-16-18-6-5-7-21(15-18)33-17-22(29)28-12-3-4-13-28/h2,5-11,15-16H,1,3-4,12-14,17H2,(H,26,30)(H,27,31)/b25-16-.
What are the key properties of N'-[(Z)-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]-N-(4-prop-2-enoxyphenyl)oxamide?
N'-[(Z)-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]-N-(4-prop-2-enoxyphenyl)oxamide has a molecular weight of 450.50 g/mol, XLogP of 2.34, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]-N-(4-prop-2-enoxyphenyl)oxamide is sourced from PubChem (CID 126263814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).