N-(2-phenylethyl)-N'-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]oxamide

C20H23N3O5 — CID 133240925

IUPACN-(2-phenylethyl)-N'-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]oxamide
SMILESCOc1ccc(/C=N\NC(=O)C(=O)NCCc2ccccc2)c(OC)c1OC
InChIInChI=1S/C20H23N3O5/c1-26-16-10-9-15(17(27-2)18(16)28-3)13-22-23-20(25)19(24)21-12-11-14-7-5-4-6-8-14/h4-10,13H,11-12H2,1-3H3,(H,21,24)(H,23,25)/b22-13-
InChIKeyJRWZPFQHCJVRGI-XKZIYDEJSA-N
MW385.42 g/mol
LogP1.52
Rot. Bonds8

About N-(2-phenylethyl)-N'-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]oxamide

N-(2-phenylethyl)-N'-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]oxamide (PubChem CID 133240925) has the molecular formula C20H23N3O5 and a molecular weight of 385.42 g/mol. Its IUPAC name is N-(2-phenylethyl)-N'-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-N'-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]oxamide
PubChem CID133240925
Molecular FormulaC20H23N3O5
Molecular Weight385.42 g/mol
Exact Mass385.16
IUPAC NameN-(2-phenylethyl)-N'-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]oxamide
SMILESCOc1ccc(/C=N\NC(=O)C(=O)NCCc2ccccc2)c(OC)c1OC
InChIInChI=1S/C20H23N3O5/c1-26-16-10-9-15(17(27-2)18(16)28-3)13-22-23-20(25)19(24)21-12-11-14-7-5-4-6-8-14/h4-10,13H,11-12H2,1-3H3,(H,21,24)(H,23,25)/b22-13-
InChIKeyJRWZPFQHCJVRGI-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

N-(2-phenylethyl)-N'-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]oxamide
CID 6260731
N'-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-N-(2-phenylethyl)propanediamide
CID 6018671
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[(2-fluorophenyl)methylideneamino]oxamide
CID 2250985
N'-[(2-fluorophenyl)methylideneamino]-N-(2-phenylethyl)oxamide
CID 2248791
N'-[(Z)-(5-bromo-2-ethoxyphenyl)methylideneamino]-N-(2-phenylethyl)oxamide
CID 8931387
2-[benzenesulfonyl(2-phenylethyl)amino]-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]acetamide
CID 92511648
1-phenyl-N-[(2,3,4-trimethoxyphenyl)methylideneamino]methanamine
CID 3287826
4-ethoxy-3-[(Z)-[[2-oxo-2-(2-phenylethylamino)acetyl]hydrazinylidene]methyl]benzoate
CID 8898189
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[(Z)-(2-propoxyphenyl)methylideneamino]oxamide
CID 8988782
N'-[(E)-1H-indol-3-ylmethylideneamino]-N-(2-phenylethyl)oxamide
CID 135814036
N'-[(2,3-dimethoxyphenyl)methylideneamino]-N-prop-2-enyloxamide
CID 2249697
N-[(2,3,4-trimethoxyphenyl)methylideneamino]aniline
CID 5062184

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-N'-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]oxamide?
The IUPAC name of N-(2-phenylethyl)-N'-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]oxamide (CID 133240925) is N-(2-phenylethyl)-N'-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]oxamide.
What is the SMILES notation for N-(2-phenylethyl)-N'-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]oxamide?
The canonical SMILES for N-(2-phenylethyl)-N'-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]oxamide is COc1ccc(/C=N\NC(=O)C(=O)NCCc2ccccc2)c(OC)c1OC.
What is the InChIKey of N-(2-phenylethyl)-N'-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]oxamide?
The InChIKey is JRWZPFQHCJVRGI-XKZIYDEJSA-N. The full InChI is InChI=1S/C20H23N3O5/c1-26-16-10-9-15(17(27-2)18(16)28-3)13-22-23-20(25)19(24)21-12-11-14-7-5-4-6-8-14/h4-10,13H,11-12H2,1-3H3,(H,21,24)(H,23,25)/b22-13-.
What are the key properties of N-(2-phenylethyl)-N'-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]oxamide?
N-(2-phenylethyl)-N'-[(Z)-(2,3,4-trimethoxyphenyl)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-phenylethyl)-N'-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]oxamide is sourced from PubChem (CID 133240925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).