N'-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]oxamide

C12H15N3O4 — CID 9120925

IUPACN'-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]oxamide
SMILESCCOc1cc(/C=N\NC(=O)C(N)=O)ccc1OC
InChIInChI=1S/C12H15N3O4/c1-3-19-10-6-8(4-5-9(10)18-2)7-14-15-12(17)11(13)16/h4-7H,3H2,1-2H3,(H2,13,16)(H,15,17)/b14-7-
InChIKeyLHUMWGMRUBHYQT-AUWJEWJLSA-N
MW265.27 g/mol
LogP0.03
Rot. Bonds5

About N'-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]oxamide

N'-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]oxamide (PubChem CID 9120925) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is N'-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN'-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]oxamide
PubChem CID9120925
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC NameN'-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]oxamide
SMILESCCOc1cc(/C=N\NC(=O)C(N)=O)ccc1OC
InChIInChI=1S/C12H15N3O4/c1-3-19-10-6-8(4-5-9(10)18-2)7-14-15-12(17)11(13)16/h4-7H,3H2,1-2H3,(H2,13,16)(H,15,17)/b14-7-
InChIKeyLHUMWGMRUBHYQT-AUWJEWJLSA-N
XLogP0.03
TPSA103.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 50.03
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'-[(E)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]oxamide
CID 6910290
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3,4-diethoxybenzamide
CID 126324627
ethyl N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]carbamate
CID 2590100
N,N'-bis[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]propanediamide
CID 6004946
N-[(2R)-butan-2-yl]-N'-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]oxamide
CID 8931863
2-[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-[(E)-(3,4-diethoxyphenyl)methylideneamino]acetamide
CID 19655720
N'-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-N-(2-ethylphenyl)oxamide
CID 8901090
N'-[(Z)-(3-bromo-5-ethoxy-4-methoxyphenyl)methylideneamino]oxamide
CID 9120919
N,N'-bis[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]butanediamide
CID 6018005
2-[5-[(E)-[[2-(2-ethoxyphenoxy)acetyl]hydrazinylidene]methyl]-2-methoxyphenoxy]acetamide
CID 42998044
N-[(4-chlorophenyl)methyl]-N'-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]oxamide
CID 8901056
N'-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-N-(3-methylphenyl)oxamide
CID 8900943

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]oxamide?
The IUPAC name of N'-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]oxamide (CID 9120925) is N'-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]oxamide.
What is the SMILES notation for N'-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]oxamide?
The canonical SMILES for N'-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]oxamide is CCOc1cc(/C=N\NC(=O)C(N)=O)ccc1OC.
What is the InChIKey of N'-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]oxamide?
The InChIKey is LHUMWGMRUBHYQT-AUWJEWJLSA-N. The full InChI is InChI=1S/C12H15N3O4/c1-3-19-10-6-8(4-5-9(10)18-2)7-14-15-12(17)11(13)16/h4-7H,3H2,1-2H3,(H2,13,16)(H,15,17)/b14-7-.
What are the key properties of N'-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]oxamide?
N'-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]oxamide has a molecular weight of 265.27 g/mol, XLogP of 0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]oxamide is sourced from PubChem (CID 9120925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).