N-methoxy-2-methoxyimino-N'-methyl-2-[2-[[1-[3-(trifluoromethyl)phenyl]ethenylamino]oxymethyl]phenyl]ethanimidamide

C21H23F3N4O3 — CID 90971576

IUPACN-methoxy-2-methoxyimino-N'-methyl-2-[2-[[1-[3-(trifluoromethyl)phenyl]ethenylamino]oxymethyl]phenyl]ethanimidamide
SMILESC=C(NOCc1ccccc1C(=NOC)/C(=N/C)NOC)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H23F3N4O3/c1-14(15-9-7-10-17(12-15)21(22,23)24)26-31-13-16-8-5-6-11-18(16)19(27-29-3)20(25-2)28-30-4/h5-12,26H,1,13H2,2-4H3,(H,25,28)
InChIKeyCGNDHHYUPGWNGI-UHFFFAOYSA-N
MW436.43 g/mol
LogP3.93
Rot. Bonds9

About N-methoxy-2-methoxyimino-N'-methyl-2-[2-[[1-[3-(trifluoromethyl)phenyl]ethenylamino]oxymethyl]phenyl]ethanimidamide

N-methoxy-2-methoxyimino-N'-methyl-2-[2-[[1-[3-(trifluoromethyl)phenyl]ethenylamino]oxymethyl]phenyl]ethanimidamide (PubChem CID 90971576) has the molecular formula C21H23F3N4O3 and a molecular weight of 436.43 g/mol. Its IUPAC name is N-methoxy-2-methoxyimino-N'-methyl-2-[2-[[1-[3-(trifluoromethyl)phenyl]ethenylamino]oxymethyl]phenyl]ethanimidamide.

Molecular Properties

Compound NameN-methoxy-2-methoxyimino-N'-methyl-2-[2-[[1-[3-(trifluoromethyl)phenyl]ethenylamino]oxymethyl]phenyl]ethanimidamide
PubChem CID90971576
Molecular FormulaC21H23F3N4O3
Molecular Weight436.43 g/mol
Exact Mass436.17
IUPAC NameN-methoxy-2-methoxyimino-N'-methyl-2-[2-[[1-[3-(trifluoromethyl)phenyl]ethenylamino]oxymethyl]phenyl]ethanimidamide
SMILESC=C(NOCc1ccccc1C(=NOC)/C(=N/C)NOC)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H23F3N4O3/c1-14(15-9-7-10-17(12-15)21(22,23)24)26-31-13-16-8-5-6-11-18(16)19(27-29-3)20(25-2)28-30-4/h5-12,26H,1,13H2,2-4H3,(H,25,28)
InChIKeyCGNDHHYUPGWNGI-UHFFFAOYSA-N
XLogP3.93
TPSA76.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.43
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-methoxy-2-methoxyimino-N'-methyl-2-[2-[[1-[3-(trifluoromethyl)phenyl]ethenylamino]oxymethyl]phenyl]ethanimidamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methoxy-2-methoxyimino-N'-methyl-2-[2-[[1-[3-(trifluoromethyl)phenyl]ethenylamino]oxymethyl]phenyl]ethanimidamide?
The IUPAC name of N-methoxy-2-methoxyimino-N'-methyl-2-[2-[[1-[3-(trifluoromethyl)phenyl]ethenylamino]oxymethyl]phenyl]ethanimidamide (CID 90971576) is N-methoxy-2-methoxyimino-N'-methyl-2-[2-[[1-[3-(trifluoromethyl)phenyl]ethenylamino]oxymethyl]phenyl]ethanimidamide.
What is the SMILES notation for N-methoxy-2-methoxyimino-N'-methyl-2-[2-[[1-[3-(trifluoromethyl)phenyl]ethenylamino]oxymethyl]phenyl]ethanimidamide?
The canonical SMILES for N-methoxy-2-methoxyimino-N'-methyl-2-[2-[[1-[3-(trifluoromethyl)phenyl]ethenylamino]oxymethyl]phenyl]ethanimidamide is C=C(NOCc1ccccc1C(=NOC)/C(=N/C)NOC)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-methoxy-2-methoxyimino-N'-methyl-2-[2-[[1-[3-(trifluoromethyl)phenyl]ethenylamino]oxymethyl]phenyl]ethanimidamide?
The InChIKey is CGNDHHYUPGWNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N4O3/c1-14(15-9-7-10-17(12-15)21(22,23)24)26-31-13-16-8-5-6-11-18(16)19(27-29-3)20(25-2)28-30-4/h5-12,26H,1,13H2,2-4H3,(H,25,28).
What are the key properties of N-methoxy-2-methoxyimino-N'-methyl-2-[2-[[1-[3-(trifluoromethyl)phenyl]ethenylamino]oxymethyl]phenyl]ethanimidamide?
N-methoxy-2-methoxyimino-N'-methyl-2-[2-[[1-[3-(trifluoromethyl)phenyl]ethenylamino]oxymethyl]phenyl]ethanimidamide has a molecular weight of 436.43 g/mol, XLogP of 3.93, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-2-methoxyimino-N'-methyl-2-[2-[[1-[3-(trifluoromethyl)phenyl]ethenylamino]oxymethyl]phenyl]ethanimidamide is sourced from PubChem (CID 90971576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).