N-cyclopropyl-2-[4-[3-[[4-(trifluoromethyl)phenyl]methoxyimino]propyl]phenoxy]acetamide

C22H23F3N2O3 — CID 90021284

IUPACN-cyclopropyl-2-[4-[3-[[4-(trifluoromethyl)phenyl]methoxyimino]propyl]phenoxy]acetamide
SMILESO=C(COc1ccc(CCC=NOCc2ccc(C(F)(F)F)cc2)cc1)NC1CC1
InChIInChI=1S/C22H23F3N2O3/c23-22(24,25)18-7-3-17(4-8-18)14-30-26-13-1-2-16-5-11-20(12-6-16)29-15-21(28)27-19-9-10-19/h3-8,11-13,19H,1-2,9-10,14-15H2,(H,27,28)
InChIKeyJWJQKXHJMTVCEE-UHFFFAOYSA-N
MW420.43 g/mol
LogP4.50
Rot. Bonds10

About N-cyclopropyl-2-[4-[3-[[4-(trifluoromethyl)phenyl]methoxyimino]propyl]phenoxy]acetamide

N-cyclopropyl-2-[4-[3-[[4-(trifluoromethyl)phenyl]methoxyimino]propyl]phenoxy]acetamide (PubChem CID 90021284) has the molecular formula C22H23F3N2O3 and a molecular weight of 420.43 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-[3-[[4-(trifluoromethyl)phenyl]methoxyimino]propyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-[3-[[4-(trifluoromethyl)phenyl]methoxyimino]propyl]phenoxy]acetamide
PubChem CID90021284
Molecular FormulaC22H23F3N2O3
Molecular Weight420.43 g/mol
Exact Mass420.17
IUPAC NameN-cyclopropyl-2-[4-[3-[[4-(trifluoromethyl)phenyl]methoxyimino]propyl]phenoxy]acetamide
SMILESO=C(COc1ccc(CCC=NOCc2ccc(C(F)(F)F)cc2)cc1)NC1CC1
InChIInChI=1S/C22H23F3N2O3/c23-22(24,25)18-7-3-17(4-8-18)14-30-26-13-1-2-16-5-11-20(12-6-16)29-15-21(28)27-19-9-10-19/h3-8,11-13,19H,1-2,9-10,14-15H2,(H,27,28)
InChIKeyJWJQKXHJMTVCEE-UHFFFAOYSA-N
XLogP4.50
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.43
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

1-(6-azaspiro[2.5]octan-6-yl)-2-[4-[3-[[4-(trifluoromethyl)phenyl]methoxyimino]propyl]phenoxy]ethanone
CID 90021177
N-(3,4-dihydro-2H-pyran-4-ylmethyl)-2-[4-[2-[[4-(trifluoromethyl)phenyl]methoxyimino]ethyl]phenoxy]acetamide
CID 90021059
N-[4-[2-oxo-3-[4-(trifluoromethyl)phenoxy]propyl]cyclohexyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 147640243
2-(4-propylphenoxy)-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide
CID 108553127
N-cyclopropyl-2-[4-[2-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]ethyl]phenoxy]acetamide
CID 109471417
2-[4-(trifluoromethyl)phenoxy]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 55772582
N-(1-benzylpiperidin-4-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 46488361
2-[4-[2-[[amino-[4-(trifluoromethoxy)anilino]methylidene]amino]ethyl]phenoxy]-N-cyclopropylacetamide
CID 111075259
N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-4-(trifluoromethylsulfanyl)benzamide
CID 55893443
methyl 2-hydroxy-3-[4-[2-[[4-(trifluoromethyl)phenyl]methoxyimino]ethyl]phenoxy]propanoate
CID 118238913
N-cyclopentyl-2-[4-(hydroxymethyl)phenoxy]acetamide
CID 28561633
2-[4-[(E)-C-ethyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenoxy]-N-(oxan-4-ylmethyl)acetamide
CID 57414079

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-[3-[[4-(trifluoromethyl)phenyl]methoxyimino]propyl]phenoxy]acetamide?
The IUPAC name of N-cyclopropyl-2-[4-[3-[[4-(trifluoromethyl)phenyl]methoxyimino]propyl]phenoxy]acetamide (CID 90021284) is N-cyclopropyl-2-[4-[3-[[4-(trifluoromethyl)phenyl]methoxyimino]propyl]phenoxy]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[4-[3-[[4-(trifluoromethyl)phenyl]methoxyimino]propyl]phenoxy]acetamide?
The canonical SMILES for N-cyclopropyl-2-[4-[3-[[4-(trifluoromethyl)phenyl]methoxyimino]propyl]phenoxy]acetamide is O=C(COc1ccc(CCC=NOCc2ccc(C(F)(F)F)cc2)cc1)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[4-[3-[[4-(trifluoromethyl)phenyl]methoxyimino]propyl]phenoxy]acetamide?
The InChIKey is JWJQKXHJMTVCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N2O3/c23-22(24,25)18-7-3-17(4-8-18)14-30-26-13-1-2-16-5-11-20(12-6-16)29-15-21(28)27-19-9-10-19/h3-8,11-13,19H,1-2,9-10,14-15H2,(H,27,28).
What are the key properties of N-cyclopropyl-2-[4-[3-[[4-(trifluoromethyl)phenyl]methoxyimino]propyl]phenoxy]acetamide?
N-cyclopropyl-2-[4-[3-[[4-(trifluoromethyl)phenyl]methoxyimino]propyl]phenoxy]acetamide has a molecular weight of 420.43 g/mol, XLogP of 4.50, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-[3-[[4-(trifluoromethyl)phenyl]methoxyimino]propyl]phenoxy]acetamide is sourced from PubChem (CID 90021284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).