N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[(Z)-(4-methoxyphenyl)methylideneamino]oxamide

C20H23N3O5 — CID 8900282

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[(Z)-(4-methoxyphenyl)methylideneamino]oxamide
SMILESCOc1ccc(/C=N\NC(=O)C(=O)NCCc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C20H23N3O5/c1-26-16-7-4-15(5-8-16)13-22-23-20(25)19(24)21-11-10-14-6-9-17(27-2)18(12-14)28-3/h4-9,12-13H,10-11H2,1-3H3,(H,21,24)(H,23,25)/b22-13-
InChIKeyZYJIILJOWJKPNW-XKZIYDEJSA-N
MW385.42 g/mol
LogP1.52
Rot. Bonds8

About N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[(Z)-(4-methoxyphenyl)methylideneamino]oxamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[(Z)-(4-methoxyphenyl)methylideneamino]oxamide (PubChem CID 8900282) has the molecular formula C20H23N3O5 and a molecular weight of 385.42 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[(Z)-(4-methoxyphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[(Z)-(4-methoxyphenyl)methylideneamino]oxamide
PubChem CID8900282
Molecular FormulaC20H23N3O5
Molecular Weight385.42 g/mol
Exact Mass385.16
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[(Z)-(4-methoxyphenyl)methylideneamino]oxamide
SMILESCOc1ccc(/C=N\NC(=O)C(=O)NCCc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C20H23N3O5/c1-26-16-7-4-15(5-8-16)13-22-23-20(25)19(24)21-11-10-14-6-9-17(27-2)18(12-14)28-3/h4-9,12-13H,10-11H2,1-3H3,(H,21,24)(H,23,25)/b22-13-
InChIKeyZYJIILJOWJKPNW-XKZIYDEJSA-N
XLogP1.52
TPSA98.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 51.52
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

4-[(Z)-[[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoacetyl]hydrazinylidene]methyl]benzoic acid
CID 6326501
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[(Z)-[3-ethoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126161113
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[(E)-(3-phenylmethoxyphenyl)methylideneamino]oxamide
CID 21212848
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[(E)-[4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]propanediamide
CID 98102295
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[(Z)-[3-methoxy-4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide
CID 126268210
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[(2-fluorophenyl)methylideneamino]oxamide
CID 2250985
N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-propyloxamide
CID 5363155
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[(Z)-[4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]phenyl]methylideneamino]oxamide
CID 126158019
N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(3-methoxyphenyl)ethyl]oxamide
CID 108985428
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[(Z)-(2-propoxyphenyl)methylideneamino]oxamide
CID 8988782
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 51290944
N'-(3,4-dimethoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 7585270

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[(Z)-(4-methoxyphenyl)methylideneamino]oxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[(Z)-(4-methoxyphenyl)methylideneamino]oxamide (CID 8900282) is N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[(Z)-(4-methoxyphenyl)methylideneamino]oxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[(Z)-(4-methoxyphenyl)methylideneamino]oxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[(Z)-(4-methoxyphenyl)methylideneamino]oxamide is COc1ccc(/C=N\NC(=O)C(=O)NCCc2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[(Z)-(4-methoxyphenyl)methylideneamino]oxamide?
The InChIKey is ZYJIILJOWJKPNW-XKZIYDEJSA-N. The full InChI is InChI=1S/C20H23N3O5/c1-26-16-7-4-15(5-8-16)13-22-23-20(25)19(24)21-11-10-14-6-9-17(27-2)18(12-14)28-3/h4-9,12-13H,10-11H2,1-3H3,(H,21,24)(H,23,25)/b22-13-.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[(Z)-(4-methoxyphenyl)methylideneamino]oxamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[(Z)-(4-methoxyphenyl)methylideneamino]oxamide has a molecular weight of 385.42 g/mol, XLogP of 1.52, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[(Z)-(4-methoxyphenyl)methylideneamino]oxamide is sourced from PubChem (CID 8900282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).