2-methoxyimino-N-methyl-2-[2-methyl-5-[[1-[3-(trifluoromethoxy)phenyl]ethylideneamino]oxymethyl]phenyl]acetamide

C21H22F3N3O4 — CID 85425677

IUPAC2-methoxyimino-N-methyl-2-[2-methyl-5-[[1-[3-(trifluoromethoxy)phenyl]ethylideneamino]oxymethyl]phenyl]acetamide
SMILESCNC(=O)C(=NOC)c1cc(CON=C(C)c2cccc(OC(F)(F)F)c2)ccc1C
InChIInChI=1S/C21H22F3N3O4/c1-13-8-9-15(10-18(13)19(27-29-4)20(28)25-3)12-30-26-14(2)16-6-5-7-17(11-16)31-21(22,23)24/h5-11H,12H2,1-4H3,(H,25,28)
InChIKeyULNAGUCRMSIPAJ-UHFFFAOYSA-N
MW437.42 g/mol
LogP3.93
Rot. Bonds8

About 2-methoxyimino-N-methyl-2-[2-methyl-5-[[1-[3-(trifluoromethoxy)phenyl]ethylideneamino]oxymethyl]phenyl]acetamide

2-methoxyimino-N-methyl-2-[2-methyl-5-[[1-[3-(trifluoromethoxy)phenyl]ethylideneamino]oxymethyl]phenyl]acetamide (PubChem CID 85425677) has the molecular formula C21H22F3N3O4 and a molecular weight of 437.42 g/mol. Its IUPAC name is 2-methoxyimino-N-methyl-2-[2-methyl-5-[[1-[3-(trifluoromethoxy)phenyl]ethylideneamino]oxymethyl]phenyl]acetamide.

Molecular Properties

Compound Name2-methoxyimino-N-methyl-2-[2-methyl-5-[[1-[3-(trifluoromethoxy)phenyl]ethylideneamino]oxymethyl]phenyl]acetamide
PubChem CID85425677
Molecular FormulaC21H22F3N3O4
Molecular Weight437.42 g/mol
Exact Mass437.16
IUPAC Name2-methoxyimino-N-methyl-2-[2-methyl-5-[[1-[3-(trifluoromethoxy)phenyl]ethylideneamino]oxymethyl]phenyl]acetamide
SMILESCNC(=O)C(=NOC)c1cc(CON=C(C)c2cccc(OC(F)(F)F)c2)ccc1C
InChIInChI=1S/C21H22F3N3O4/c1-13-8-9-15(10-18(13)19(27-29-4)20(28)25-3)12-30-26-14(2)16-6-5-7-17(11-16)31-21(22,23)24/h5-11H,12H2,1-4H3,(H,25,28)
InChIKeyULNAGUCRMSIPAJ-UHFFFAOYSA-N
XLogP3.93
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.42
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-methyl-5-[[1-[3-(trifluoromethoxy)phenyl]ethylideneamino]oxymethyl]phenyl]acetamide?
The IUPAC name of 2-methoxyimino-N-methyl-2-[2-methyl-5-[[1-[3-(trifluoromethoxy)phenyl]ethylideneamino]oxymethyl]phenyl]acetamide (CID 85425677) is 2-methoxyimino-N-methyl-2-[2-methyl-5-[[1-[3-(trifluoromethoxy)phenyl]ethylideneamino]oxymethyl]phenyl]acetamide.
What is the SMILES notation for 2-methoxyimino-N-methyl-2-[2-methyl-5-[[1-[3-(trifluoromethoxy)phenyl]ethylideneamino]oxymethyl]phenyl]acetamide?
The canonical SMILES for 2-methoxyimino-N-methyl-2-[2-methyl-5-[[1-[3-(trifluoromethoxy)phenyl]ethylideneamino]oxymethyl]phenyl]acetamide is CNC(=O)C(=NOC)c1cc(CON=C(C)c2cccc(OC(F)(F)F)c2)ccc1C.
What is the InChIKey of 2-methoxyimino-N-methyl-2-[2-methyl-5-[[1-[3-(trifluoromethoxy)phenyl]ethylideneamino]oxymethyl]phenyl]acetamide?
The InChIKey is ULNAGUCRMSIPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N3O4/c1-13-8-9-15(10-18(13)19(27-29-4)20(28)25-3)12-30-26-14(2)16-6-5-7-17(11-16)31-21(22,23)24/h5-11H,12H2,1-4H3,(H,25,28).
What are the key properties of 2-methoxyimino-N-methyl-2-[2-methyl-5-[[1-[3-(trifluoromethoxy)phenyl]ethylideneamino]oxymethyl]phenyl]acetamide?
2-methoxyimino-N-methyl-2-[2-methyl-5-[[1-[3-(trifluoromethoxy)phenyl]ethylideneamino]oxymethyl]phenyl]acetamide has a molecular weight of 437.42 g/mol, XLogP of 3.93, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyimino-N-methyl-2-[2-methyl-5-[[1-[3-(trifluoromethoxy)phenyl]ethylideneamino]oxymethyl]phenyl]acetamide is sourced from PubChem (CID 85425677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).