(2E)-N-(2-methoxyacetyl)-2-methoxyimino-2-[2-[[(E)-1-[4-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetamide

C22H22F3N3O5 — CID 11134406

IUPAC(2E)-N-(2-methoxyacetyl)-2-methoxyimino-2-[2-[[(E)-1-[4-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetamide
SMILESCOCC(=O)NC(=O)/C(=N/OC)c1ccccc1CO/N=C(\C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H22F3N3O5/c1-14(15-8-10-17(11-9-15)22(23,24)25)27-33-12-16-6-4-5-7-18(16)20(28-32-3)21(30)26-19(29)13-31-2/h4-11H,12-13H2,1-3H3,(H,26,29,30)/b27-14+,28-20+
InChIKeyXRADLJDZBAVUMA-VSICBDRASA-N
MW465.43 g/mol
LogP3.29
Rot. Bonds9

About (2E)-N-(2-methoxyacetyl)-2-methoxyimino-2-[2-[[(E)-1-[4-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetamide

(2E)-N-(2-methoxyacetyl)-2-methoxyimino-2-[2-[[(E)-1-[4-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetamide (PubChem CID 11134406) has the molecular formula C22H22F3N3O5 and a molecular weight of 465.43 g/mol. Its IUPAC name is (2E)-N-(2-methoxyacetyl)-2-methoxyimino-2-[2-[[(E)-1-[4-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetamide.

Molecular Properties

Compound Name(2E)-N-(2-methoxyacetyl)-2-methoxyimino-2-[2-[[(E)-1-[4-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetamide
PubChem CID11134406
Molecular FormulaC22H22F3N3O5
Molecular Weight465.43 g/mol
Exact Mass465.15
IUPAC Name(2E)-N-(2-methoxyacetyl)-2-methoxyimino-2-[2-[[(E)-1-[4-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetamide
SMILESCOCC(=O)NC(=O)/C(=N/OC)c1ccccc1CO/N=C(\C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H22F3N3O5/c1-14(15-8-10-17(11-9-15)22(23,24)25)27-33-12-16-6-4-5-7-18(16)20(28-32-3)21(30)26-19(29)13-31-2/h4-11H,12-13H2,1-3H3,(H,26,29,30)/b27-14+,28-20+
InChIKeyXRADLJDZBAVUMA-VSICBDRASA-N
XLogP3.29
TPSA98.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.43
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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Related Compounds

methyl 2-[2-[[1-[3,5-bis(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]-2-methoxyiminoacetate
CID 165361883
(2E)-2-methoxyimino-N-methyl-2-[2-[[(E)-1-[4-(trifluoromethoxy)phenyl]ethylideneamino]oxymethyl]phenyl]acetamide
CID 156812657
(2E)-2-methoxyimino-N-methyl-2-[2-[[(E)-1-(4-methylphenyl)ethylideneamino]oxymethyl]phenyl]acetamide
CID 157024287
methyl (2E)-2-methoxyimino-2-[2-[[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetate;2H-triazole
CID 174906541
methyl (2E)-2-[2-[[(Z)-[[3,5-bis(trifluoromethyl)phenyl]-methoxymethylidene]amino]oxymethyl]phenyl]-2-methoxyiminoacetate
CID 25022864
methyl (2E)-2-[2-[[(E)-1-(2-fluorophenyl)ethylideneamino]oxymethyl]phenyl]-2-methoxyiminoacetate
CID 157023984
(2E)-2-[2-[[(E)-1-(3-chlorophenyl)ethylideneamino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 156812660
(2E)-2-[[2-[(E)-N-methoxy-C-methoxycarbonylcarbonimidoyl]phenyl]methoxyimino]-2-[3-(trifluoromethyl)phenyl]acetic acid
CID 172919111
(2E)-2-[2-[[1-[3-(2-chloro-2-fluoroethenyl)phenyl]ethylideneamino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 87569029
(2E)-2-[2-[[(E)-1-(4-chlorophenyl)ethylideneamino]oxymethyl]phenyl]-2-methoxyimino-N-methylethanimidoyl chloride
CID 59871403
methoxymethane;methyl 2-[2-[[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]prop-2-enoate
CID 142494403
N-(2-chloroacetyl)-2-[2-[(ethylideneamino)-hydroxy-[4-(trifluoromethyl)phenyl]methyl]phenyl]-2-methoxyiminoacetamide
CID 173274904

Frequently Asked Questions

What is the IUPAC name of (2E)-N-(2-methoxyacetyl)-2-methoxyimino-2-[2-[[(E)-1-[4-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetamide?
The IUPAC name of (2E)-N-(2-methoxyacetyl)-2-methoxyimino-2-[2-[[(E)-1-[4-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetamide (CID 11134406) is (2E)-N-(2-methoxyacetyl)-2-methoxyimino-2-[2-[[(E)-1-[4-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetamide.
What is the SMILES notation for (2E)-N-(2-methoxyacetyl)-2-methoxyimino-2-[2-[[(E)-1-[4-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetamide?
The canonical SMILES for (2E)-N-(2-methoxyacetyl)-2-methoxyimino-2-[2-[[(E)-1-[4-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetamide is COCC(=O)NC(=O)/C(=N/OC)c1ccccc1CO/N=C(\C)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (2E)-N-(2-methoxyacetyl)-2-methoxyimino-2-[2-[[(E)-1-[4-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetamide?
The InChIKey is XRADLJDZBAVUMA-VSICBDRASA-N. The full InChI is InChI=1S/C22H22F3N3O5/c1-14(15-8-10-17(11-9-15)22(23,24)25)27-33-12-16-6-4-5-7-18(16)20(28-32-3)21(30)26-19(29)13-31-2/h4-11H,12-13H2,1-3H3,(H,26,29,30)/b27-14+,28-20+.
What are the key properties of (2E)-N-(2-methoxyacetyl)-2-methoxyimino-2-[2-[[(E)-1-[4-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetamide?
(2E)-N-(2-methoxyacetyl)-2-methoxyimino-2-[2-[[(E)-1-[4-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetamide has a molecular weight of 465.43 g/mol, XLogP of 3.29, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-(2-methoxyacetyl)-2-methoxyimino-2-[2-[[(E)-1-[4-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetamide is sourced from PubChem (CID 11134406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).