(2E)-2-methoxyimino-2-[2-[2-[(Z)-N-methoxy-C-methylcarbonimidoyl]-5,6-dimethylpyrimidin-4-yl]oxyphenyl]-N-methylacetamide

C19H23N5O4 — CID 54130842

IUPAC(2E)-2-methoxyimino-2-[2-[2-[(Z)-N-methoxy-C-methylcarbonimidoyl]-5,6-dimethylpyrimidin-4-yl]oxyphenyl]-N-methylacetamide
SMILESCNC(=O)/C(=N/OC)c1ccccc1Oc1nc(/C(C)=N\OC)nc(C)c1C
InChIInChI=1S/C19H23N5O4/c1-11-12(2)21-17(13(3)23-26-5)22-19(11)28-15-10-8-7-9-14(15)16(24-27-6)18(25)20-4/h7-10H,1-6H3,(H,20,25)/b23-13-,24-16+
InChIKeyCDOUPXRFECGINF-CNWRWBJISA-N
MW385.42 g/mol
LogP2.35
Rot. Bonds7

About (2E)-2-methoxyimino-2-[2-[2-[(Z)-N-methoxy-C-methylcarbonimidoyl]-5,6-dimethylpyrimidin-4-yl]oxyphenyl]-N-methylacetamide

(2E)-2-methoxyimino-2-[2-[2-[(Z)-N-methoxy-C-methylcarbonimidoyl]-5,6-dimethylpyrimidin-4-yl]oxyphenyl]-N-methylacetamide (PubChem CID 54130842) has the molecular formula C19H23N5O4 and a molecular weight of 385.42 g/mol. Its IUPAC name is (2E)-2-methoxyimino-2-[2-[2-[(Z)-N-methoxy-C-methylcarbonimidoyl]-5,6-dimethylpyrimidin-4-yl]oxyphenyl]-N-methylacetamide.

Molecular Properties

Compound Name(2E)-2-methoxyimino-2-[2-[2-[(Z)-N-methoxy-C-methylcarbonimidoyl]-5,6-dimethylpyrimidin-4-yl]oxyphenyl]-N-methylacetamide
PubChem CID54130842
Molecular FormulaC19H23N5O4
Molecular Weight385.42 g/mol
Exact Mass385.18
IUPAC Name(2E)-2-methoxyimino-2-[2-[2-[(Z)-N-methoxy-C-methylcarbonimidoyl]-5,6-dimethylpyrimidin-4-yl]oxyphenyl]-N-methylacetamide
SMILESCNC(=O)/C(=N/OC)c1ccccc1Oc1nc(/C(C)=N\OC)nc(C)c1C
InChIInChI=1S/C19H23N5O4/c1-11-12(2)21-17(13(3)23-26-5)22-19(11)28-15-10-8-7-9-14(15)16(24-27-6)18(25)20-4/h7-10H,1-6H3,(H,20,25)/b23-13-,24-16+
InChIKeyCDOUPXRFECGINF-CNWRWBJISA-N
XLogP2.35
TPSA107.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2E)-2-methoxyimino-2-[2-[2-[(Z)-N-methoxy-C-methylcarbonimidoyl]-5,6-dimethylpyrimidin-4-yl]oxyphenyl]-N-methylacetamide 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

2-methoxyimino-N-methyl-2-[2-(4-phenoxyphenoxy)phenyl]acetamide
CID 54359900
(2E)-2-[2-[5-fluoro-6-(2-methylphenoxy)pyrimidin-4-yl]oxyphenyl]-2-methoxyimino-N-methylacetamide
CID 59956522
2-[2-(4-chlorophenoxy)phenyl]-2-methoxyimino-N-methylacetamide
CID 54158947
2-[2-(3,4-dichlorophenoxy)phenyl]-2-methoxyimino-N-methylacetamide
CID 54250767
2-[2-(4-tert-butylphenoxy)phenyl]-2-methoxyimino-N-methylacetamide
CID 54137319
(2Z)-2-[2-[6-(2-bromophenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-2-methoxyimino-N-methylacetamide
CID 15835093
(2Z)-2-methoxyimino-N-methyl-2-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetamide
CID 15767096
(2Z)-2-(2-ethylphenyl)-2-methoxyimino-N-methylacetamide
CID 22886048
(2Z)-2-methoxyimino-N-methyl-2-[2-[(2-methylphenoxy)methyl]phenyl]acetamide
CID 15335383
(2E)-2-methoxyimino-N-methyl-2-[3-methyl-2-[[(E)-1-[2-[(2-methylpropan-2-yl)oxy]phenyl]ethylideneamino]oxymethyl]phenyl]acetamide
CID 157024147
2-methoxyimino-N-methyl-2-[2-[2-(2-methylphenoxy)ethyl]phenyl]acetamide
CID 150692604
2-[2-[6-(3-chloro-2-methylphenoxy)-5-fluoropyrimidin-4-yl]oxy-4-fluorophenyl]-2-methoxyimino-N-methylacetamide
CID 72621798

Frequently Asked Questions

What is the IUPAC name of (2E)-2-methoxyimino-2-[2-[2-[(Z)-N-methoxy-C-methylcarbonimidoyl]-5,6-dimethylpyrimidin-4-yl]oxyphenyl]-N-methylacetamide?
The IUPAC name of (2E)-2-methoxyimino-2-[2-[2-[(Z)-N-methoxy-C-methylcarbonimidoyl]-5,6-dimethylpyrimidin-4-yl]oxyphenyl]-N-methylacetamide (CID 54130842) is (2E)-2-methoxyimino-2-[2-[2-[(Z)-N-methoxy-C-methylcarbonimidoyl]-5,6-dimethylpyrimidin-4-yl]oxyphenyl]-N-methylacetamide.
What is the SMILES notation for (2E)-2-methoxyimino-2-[2-[2-[(Z)-N-methoxy-C-methylcarbonimidoyl]-5,6-dimethylpyrimidin-4-yl]oxyphenyl]-N-methylacetamide?
The canonical SMILES for (2E)-2-methoxyimino-2-[2-[2-[(Z)-N-methoxy-C-methylcarbonimidoyl]-5,6-dimethylpyrimidin-4-yl]oxyphenyl]-N-methylacetamide is CNC(=O)/C(=N/OC)c1ccccc1Oc1nc(/C(C)=N\OC)nc(C)c1C.
What is the InChIKey of (2E)-2-methoxyimino-2-[2-[2-[(Z)-N-methoxy-C-methylcarbonimidoyl]-5,6-dimethylpyrimidin-4-yl]oxyphenyl]-N-methylacetamide?
The InChIKey is CDOUPXRFECGINF-CNWRWBJISA-N. The full InChI is InChI=1S/C19H23N5O4/c1-11-12(2)21-17(13(3)23-26-5)22-19(11)28-15-10-8-7-9-14(15)16(24-27-6)18(25)20-4/h7-10H,1-6H3,(H,20,25)/b23-13-,24-16+.
What are the key properties of (2E)-2-methoxyimino-2-[2-[2-[(Z)-N-methoxy-C-methylcarbonimidoyl]-5,6-dimethylpyrimidin-4-yl]oxyphenyl]-N-methylacetamide?
(2E)-2-methoxyimino-2-[2-[2-[(Z)-N-methoxy-C-methylcarbonimidoyl]-5,6-dimethylpyrimidin-4-yl]oxyphenyl]-N-methylacetamide has a molecular weight of 385.42 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-methoxyimino-2-[2-[2-[(Z)-N-methoxy-C-methylcarbonimidoyl]-5,6-dimethylpyrimidin-4-yl]oxyphenyl]-N-methylacetamide is sourced from PubChem (CID 54130842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).