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

C21H23F3N4O3 — CID 15240323

IUPAC(2Z)-N-methoxy-2-methoxyimino-N'-methyl-2-[2-[[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]ethanimidamide
SMILESC/N=C(NOC)/C(=N\OC)c1ccccc1CO/N=C(\C)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/h5-12H,13H2,1-4H3,(H,25,28)/b26-14+,27-19-
InChIKeyFQHPNPVTKMKQKN-GKYKDEINSA-N
MW436.43 g/mol
LogP4.18
Rot. Bonds8

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

(2Z)-N-methoxy-2-methoxyimino-N'-methyl-2-[2-[[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]ethanimidamide (PubChem CID 15240323) has the molecular formula C21H23F3N4O3 and a molecular weight of 436.43 g/mol. Its IUPAC name is (2Z)-N-methoxy-2-methoxyimino-N'-methyl-2-[2-[[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]ethanimidamide.

Molecular Properties

Compound Name(2Z)-N-methoxy-2-methoxyimino-N'-methyl-2-[2-[[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]ethanimidamide
PubChem CID15240323
Molecular FormulaC21H23F3N4O3
Molecular Weight436.43 g/mol
Exact Mass436.17
IUPAC Name(2Z)-N-methoxy-2-methoxyimino-N'-methyl-2-[2-[[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]ethanimidamide
SMILESC/N=C(NOC)/C(=N\OC)c1ccccc1CO/N=C(\C)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/h5-12H,13H2,1-4H3,(H,25,28)/b26-14+,27-19-
InChIKeyFQHPNPVTKMKQKN-GKYKDEINSA-N
XLogP4.18
TPSA76.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.43
LogP ≤ 54.18
H-Bond Donors ≤ 51
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'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-N-methoxy-2-methoxyimino-N'-methyl-2-[2-[[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]ethanimidamide?
The IUPAC name of (2Z)-N-methoxy-2-methoxyimino-N'-methyl-2-[2-[[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]ethanimidamide (CID 15240323) is (2Z)-N-methoxy-2-methoxyimino-N'-methyl-2-[2-[[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]ethanimidamide.
What is the SMILES notation for (2Z)-N-methoxy-2-methoxyimino-N'-methyl-2-[2-[[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]ethanimidamide?
The canonical SMILES for (2Z)-N-methoxy-2-methoxyimino-N'-methyl-2-[2-[[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]ethanimidamide is C/N=C(NOC)/C(=N\OC)c1ccccc1CO/N=C(\C)c1cccc(C(F)(F)F)c1.
What is the InChIKey of (2Z)-N-methoxy-2-methoxyimino-N'-methyl-2-[2-[[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]ethanimidamide?
The InChIKey is FQHPNPVTKMKQKN-GKYKDEINSA-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/h5-12H,13H2,1-4H3,(H,25,28)/b26-14+,27-19-.
What are the key properties of (2Z)-N-methoxy-2-methoxyimino-N'-methyl-2-[2-[[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]ethanimidamide?
(2Z)-N-methoxy-2-methoxyimino-N'-methyl-2-[2-[[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]ethanimidamide has a molecular weight of 436.43 g/mol, XLogP of 4.18, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-methoxy-2-methoxyimino-N'-methyl-2-[2-[[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]ethanimidamide is sourced from PubChem (CID 15240323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).