N-(2-methoxyethyl)-N'-[[2-(trifluoromethyl)phenyl]methylideneamino]oxamide

C13H14F3N3O3 — CID 3117762

IUPACN-(2-methoxyethyl)-N'-[[2-(trifluoromethyl)phenyl]methylideneamino]oxamide
SMILESCOCCNC(=O)C(=O)NN=Cc1ccccc1C(F)(F)F
InChIInChI=1S/C13H14F3N3O3/c1-22-7-6-17-11(20)12(21)19-18-8-9-4-2-3-5-10(9)13(14,15)16/h2-5,8H,6-7H2,1H3,(H,17,20)(H,19,21)
InChIKeyXOQHPNBVNULJOQ-UHFFFAOYSA-N
MW317.27 g/mol
LogP0.92
Rot. Bonds5

About N-(2-methoxyethyl)-N'-[[2-(trifluoromethyl)phenyl]methylideneamino]oxamide

N-(2-methoxyethyl)-N'-[[2-(trifluoromethyl)phenyl]methylideneamino]oxamide (PubChem CID 3117762) has the molecular formula C13H14F3N3O3 and a molecular weight of 317.27 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N'-[[2-(trifluoromethyl)phenyl]methylideneamino]oxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N'-[[2-(trifluoromethyl)phenyl]methylideneamino]oxamide
PubChem CID3117762
Molecular FormulaC13H14F3N3O3
Molecular Weight317.27 g/mol
Exact Mass317.10
IUPAC NameN-(2-methoxyethyl)-N'-[[2-(trifluoromethyl)phenyl]methylideneamino]oxamide
SMILESCOCCNC(=O)C(=O)NN=Cc1ccccc1C(F)(F)F
InChIInChI=1S/C13H14F3N3O3/c1-22-7-6-17-11(20)12(21)19-18-8-9-4-2-3-5-10(9)13(14,15)16/h2-5,8H,6-7H2,1H3,(H,17,20)(H,19,21)
InChIKeyXOQHPNBVNULJOQ-UHFFFAOYSA-N
XLogP0.92
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.27
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

Analyze N-(2-methoxyethyl)-N'-[[2-(trifluoromethyl)phenyl]methylideneamino]oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-Methoxy-ethyl)-2-oxo-2-[N'-(2-trifluoromethyl-benzylidene)-hydrazino]-acetamide
CID 9593473
2-[(2E)-2-(4-fluorobenzylidene)hydrazinyl]-N-[3-(morpholin-4-yl)propyl]-2-oxoacetamide
CID 9593899
2-Oxo-N-phenethyl-2-[N'-(2-trifluoromethyl-benzylidene)-hydrazino]-acetamide
CID 9593474
N-(2-phenylethyl)-N'-[[2-(trifluoromethyl)phenyl]methylideneamino]oxamide
CID 3117763
N'-[(4-fluorophenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide
CID 3128227
N-allyl-2-[2-(4-fluorobenzylidene)hydrazino]-2-oxoacetamide
CID 5333293
N'-[(E)-(2-fluorophenyl)methylideneamino]-N-propyloxamide
CID 5333399
N'-[(E)-(2-fluorophenyl)methylideneamino]-N-(2-methylpropyl)oxamide
CID 5334235
2-[2-(2-fluorobenzylidene)hydrazino]-N-(2-methoxyethyl)-2-oxoacetamide
CID 5655292
2-{N'-[(E)-(4-Fluorophenyl)methylidene]hydrazinecarbonyl}-N-(2-methoxyethyl)acetamide
CID 6022740
2-oxo-N-(tetrahydro-2-furanylmethyl)-2-{2-[2-(trifluoromethyl)benzylidene]hydrazino}acetamide
CID 9567009
2-(2-benzylidenehydrazino)-N-ethyl-2-oxoacetamide
CID 21212784

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N'-[[2-(trifluoromethyl)phenyl]methylideneamino]oxamide?
The IUPAC name of N-(2-methoxyethyl)-N'-[[2-(trifluoromethyl)phenyl]methylideneamino]oxamide (CID 3117762) is N-(2-methoxyethyl)-N'-[[2-(trifluoromethyl)phenyl]methylideneamino]oxamide.
What is the SMILES notation for N-(2-methoxyethyl)-N'-[[2-(trifluoromethyl)phenyl]methylideneamino]oxamide?
The canonical SMILES for N-(2-methoxyethyl)-N'-[[2-(trifluoromethyl)phenyl]methylideneamino]oxamide is COCCNC(=O)C(=O)NN=Cc1ccccc1C(F)(F)F.
What is the InChIKey of N-(2-methoxyethyl)-N'-[[2-(trifluoromethyl)phenyl]methylideneamino]oxamide?
The InChIKey is XOQHPNBVNULJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O3/c1-22-7-6-17-11(20)12(21)19-18-8-9-4-2-3-5-10(9)13(14,15)16/h2-5,8H,6-7H2,1H3,(H,17,20)(H,19,21).
What are the key properties of N-(2-methoxyethyl)-N'-[[2-(trifluoromethyl)phenyl]methylideneamino]oxamide?
N-(2-methoxyethyl)-N'-[[2-(trifluoromethyl)phenyl]methylideneamino]oxamide has a molecular weight of 317.27 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N'-[[2-(trifluoromethyl)phenyl]methylideneamino]oxamide is sourced from PubChem (CID 3117762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).