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

C25H30N4O5 — CID 126261219

IUPACN-(4-butoxyphenyl)-N'-[(Z)-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide
SMILESCCCCOc1ccc(NC(=O)C(=O)N/N=C\c2ccc(OCC(=O)N3CCCC3)cc2)cc1
InChIInChI=1S/C25H30N4O5/c1-2-3-16-33-21-12-8-20(9-13-21)27-24(31)25(32)28-26-17-19-6-10-22(11-7-19)34-18-23(30)29-14-4-5-15-29/h6-13,17H,2-5,14-16,18H2,1H3,(H,27,31)(H,28,32)/b26-17-
InChIKeyGVOKRLBUULPUKH-ONUIUJJFSA-N
MW466.54 g/mol
LogP2.96
Rot. Bonds10

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

N-(4-butoxyphenyl)-N'-[(Z)-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide (PubChem CID 126261219) has the molecular formula C25H30N4O5 and a molecular weight of 466.54 g/mol. Its IUPAC name is N-(4-butoxyphenyl)-N'-[(Z)-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide.

Molecular Properties

Compound NameN-(4-butoxyphenyl)-N'-[(Z)-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide
PubChem CID126261219
Molecular FormulaC25H30N4O5
Molecular Weight466.54 g/mol
Exact Mass466.22
IUPAC NameN-(4-butoxyphenyl)-N'-[(Z)-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide
SMILESCCCCOc1ccc(NC(=O)C(=O)N/N=C\c2ccc(OCC(=O)N3CCCC3)cc2)cc1
InChIInChI=1S/C25H30N4O5/c1-2-3-16-33-21-12-8-20(9-13-21)27-24(31)25(32)28-26-17-19-6-10-22(11-7-19)34-18-23(30)29-14-4-5-15-29/h6-13,17H,2-5,14-16,18H2,1H3,(H,27,31)(H,28,32)/b26-17-
InChIKeyGVOKRLBUULPUKH-ONUIUJJFSA-N
XLogP2.96
TPSA109.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(4-butoxyphenyl)-N'-[(E)-(4-hydroxyphenyl)methylideneamino]oxamide
CID 135821329
N-(2-ethylphenyl)-N'-[(Z)-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide
CID 126267880
N-(4-methoxyphenyl)-N'-[(Z)-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide
CID 126274690
N-(2-fluorophenyl)-N'-[(E)-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide
CID 17202171
N'-[(Z)-(4-methylphenyl)methylideneamino]-N-(4-propoxyphenyl)oxamide
CID 8896208
N'-[(Z)-(4-methoxyphenyl)methylideneamino]-N-(4-propoxyphenyl)oxamide
CID 8900317
N-(4-butoxyphenyl)-N'-[(Z)-[4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126269997
N'-[(Z)-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]-N-(4-prop-2-enoxyphenyl)oxamide
CID 126263814
N-(4-fluorophenyl)-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide
CID 8988930
N-(4-butoxyphenyl)-N'-[(Z)-[4-[2-(2,4-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126255090
N-(4-butoxyphenyl)-N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]oxamide
CID 8900859
N-(4-butoxyphenyl)-N'-[(Z)-[4-[2-(3-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126256973

Frequently Asked Questions

What is the IUPAC name of N-(4-butoxyphenyl)-N'-[(Z)-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide?
The IUPAC name of N-(4-butoxyphenyl)-N'-[(Z)-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide (CID 126261219) is N-(4-butoxyphenyl)-N'-[(Z)-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide.
What is the SMILES notation for N-(4-butoxyphenyl)-N'-[(Z)-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide?
The canonical SMILES for N-(4-butoxyphenyl)-N'-[(Z)-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide is CCCCOc1ccc(NC(=O)C(=O)N/N=C\c2ccc(OCC(=O)N3CCCC3)cc2)cc1.
What is the InChIKey of N-(4-butoxyphenyl)-N'-[(Z)-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide?
The InChIKey is GVOKRLBUULPUKH-ONUIUJJFSA-N. The full InChI is InChI=1S/C25H30N4O5/c1-2-3-16-33-21-12-8-20(9-13-21)27-24(31)25(32)28-26-17-19-6-10-22(11-7-19)34-18-23(30)29-14-4-5-15-29/h6-13,17H,2-5,14-16,18H2,1H3,(H,27,31)(H,28,32)/b26-17-.
What are the key properties of N-(4-butoxyphenyl)-N'-[(Z)-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide?
N-(4-butoxyphenyl)-N'-[(Z)-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide has a molecular weight of 466.54 g/mol, XLogP of 2.96, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butoxyphenyl)-N'-[(Z)-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide is sourced from PubChem (CID 126261219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).