(2E)-2-methoxyimino-N-methyl-2-[2-[[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetamide

C20H20F3N3O3 — CID 24756592

IUPAC(2E)-2-methoxyimino-N-methyl-2-[2-[[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetamide
SMILESCNC(=O)/C(=N/OC)c1ccccc1CO/N=C(\C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H20F3N3O3/c1-13(14-8-6-9-16(11-14)20(21,22)23)25-29-12-15-7-4-5-10-17(15)18(26-28-3)19(27)24-2/h4-11H,12H2,1-3H3,(H,24,27)/b25-13+,26-18+
InChIKeyYMGYZSKZZAFXJG-GMNNJQJHSA-N
MW407.39 g/mol
LogP3.74
Rot. Bonds7

About (2E)-2-methoxyimino-N-methyl-2-[2-[[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetamide

(2E)-2-methoxyimino-N-methyl-2-[2-[[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetamide (PubChem CID 24756592) has the molecular formula C20H20F3N3O3 and a molecular weight of 407.39 g/mol. Its IUPAC name is (2E)-2-methoxyimino-N-methyl-2-[2-[[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetamide.

Molecular Properties

Compound Name(2E)-2-methoxyimino-N-methyl-2-[2-[[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetamide
PubChem CID24756592
Molecular FormulaC20H20F3N3O3
Molecular Weight407.39 g/mol
Exact Mass407.15
IUPAC Name(2E)-2-methoxyimino-N-methyl-2-[2-[[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetamide
SMILESCNC(=O)/C(=N/OC)c1ccccc1CO/N=C(\C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H20F3N3O3/c1-13(14-8-6-9-16(11-14)20(21,22)23)25-29-12-15-7-4-5-10-17(15)18(26-28-3)19(27)24-2/h4-11H,12H2,1-3H3,(H,24,27)/b25-13+,26-18+
InChIKeyYMGYZSKZZAFXJG-GMNNJQJHSA-N
XLogP3.74
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.39
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-methoxyimino-N-methyl-2-[2-[[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetamide?
The IUPAC name of (2E)-2-methoxyimino-N-methyl-2-[2-[[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetamide (CID 24756592) is (2E)-2-methoxyimino-N-methyl-2-[2-[[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetamide.
What is the SMILES notation for (2E)-2-methoxyimino-N-methyl-2-[2-[[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetamide?
The canonical SMILES for (2E)-2-methoxyimino-N-methyl-2-[2-[[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetamide is CNC(=O)/C(=N/OC)c1ccccc1CO/N=C(\C)c1cccc(C(F)(F)F)c1.
What is the InChIKey of (2E)-2-methoxyimino-N-methyl-2-[2-[[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetamide?
The InChIKey is YMGYZSKZZAFXJG-GMNNJQJHSA-N. The full InChI is InChI=1S/C20H20F3N3O3/c1-13(14-8-6-9-16(11-14)20(21,22)23)25-29-12-15-7-4-5-10-17(15)18(26-28-3)19(27)24-2/h4-11H,12H2,1-3H3,(H,24,27)/b25-13+,26-18+.
What are the key properties of (2E)-2-methoxyimino-N-methyl-2-[2-[[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetamide?
(2E)-2-methoxyimino-N-methyl-2-[2-[[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetamide has a molecular weight of 407.39 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-methoxyimino-N-methyl-2-[2-[[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetamide is sourced from PubChem (CID 24756592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).