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

C20H20F3N3O3 — CID 57221262

IUPAC2-methoxyimino-N-methyl-2-[2-[[1-[3-(trifluoromethyl)phenyl]ethenylamino]oxymethyl]phenyl]acetamide
SMILESC=C(NOCc1ccccc1C(=NOC)C(=O)NC)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/h4-11,25H,1,12H2,2-3H3,(H,24,27)
InChIKeyJRGXODPGVGZSPQ-UHFFFAOYSA-N
MW407.39 g/mol
LogP3.49
Rot. Bonds8

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

2-methoxyimino-N-methyl-2-[2-[[1-[3-(trifluoromethyl)phenyl]ethenylamino]oxymethyl]phenyl]acetamide (PubChem CID 57221262) has the molecular formula C20H20F3N3O3 and a molecular weight of 407.39 g/mol. Its IUPAC name is 2-methoxyimino-N-methyl-2-[2-[[1-[3-(trifluoromethyl)phenyl]ethenylamino]oxymethyl]phenyl]acetamide.

Molecular Properties

Compound Name2-methoxyimino-N-methyl-2-[2-[[1-[3-(trifluoromethyl)phenyl]ethenylamino]oxymethyl]phenyl]acetamide
PubChem CID57221262
Molecular FormulaC20H20F3N3O3
Molecular Weight407.39 g/mol
Exact Mass407.15
IUPAC Name2-methoxyimino-N-methyl-2-[2-[[1-[3-(trifluoromethyl)phenyl]ethenylamino]oxymethyl]phenyl]acetamide
SMILESC=C(NOCc1ccccc1C(=NOC)C(=O)NC)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/h4-11,25H,1,12H2,2-3H3,(H,24,27)
InChIKeyJRGXODPGVGZSPQ-UHFFFAOYSA-N
XLogP3.49
TPSA71.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.39
LogP ≤ 53.49
H-Bond Donors ≤ 52
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 2-methoxyimino-N-methyl-2-[2-[[1-[3-(trifluoromethyl)phenyl]ethenylamino]oxymethyl]phenyl]acetamide?
The IUPAC name of 2-methoxyimino-N-methyl-2-[2-[[1-[3-(trifluoromethyl)phenyl]ethenylamino]oxymethyl]phenyl]acetamide (CID 57221262) is 2-methoxyimino-N-methyl-2-[2-[[1-[3-(trifluoromethyl)phenyl]ethenylamino]oxymethyl]phenyl]acetamide.
What is the SMILES notation for 2-methoxyimino-N-methyl-2-[2-[[1-[3-(trifluoromethyl)phenyl]ethenylamino]oxymethyl]phenyl]acetamide?
The canonical SMILES for 2-methoxyimino-N-methyl-2-[2-[[1-[3-(trifluoromethyl)phenyl]ethenylamino]oxymethyl]phenyl]acetamide is C=C(NOCc1ccccc1C(=NOC)C(=O)NC)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-methoxyimino-N-methyl-2-[2-[[1-[3-(trifluoromethyl)phenyl]ethenylamino]oxymethyl]phenyl]acetamide?
The InChIKey is JRGXODPGVGZSPQ-UHFFFAOYSA-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/h4-11,25H,1,12H2,2-3H3,(H,24,27).
What are the key properties of 2-methoxyimino-N-methyl-2-[2-[[1-[3-(trifluoromethyl)phenyl]ethenylamino]oxymethyl]phenyl]acetamide?
2-methoxyimino-N-methyl-2-[2-[[1-[3-(trifluoromethyl)phenyl]ethenylamino]oxymethyl]phenyl]acetamide has a molecular weight of 407.39 g/mol, XLogP of 3.49, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyimino-N-methyl-2-[2-[[1-[3-(trifluoromethyl)phenyl]ethenylamino]oxymethyl]phenyl]acetamide is sourced from PubChem (CID 57221262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).