ethyl 2-[4-[(E)-C-cyclohexyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]-2-methylphenoxy]acetate

C26H30F3NO4 — CID 24949129

IUPACethyl 2-[4-[(E)-C-cyclohexyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]-2-methylphenoxy]acetate
SMILESCCOC(=O)COc1ccc(/C(=N/OCc2ccc(C(F)(F)F)cc2)C2CCCCC2)cc1C
InChIInChI=1S/C26H30F3NO4/c1-3-32-24(31)17-33-23-14-11-21(15-18(23)2)25(20-7-5-4-6-8-20)30-34-16-19-9-12-22(13-10-19)26(27,28)29/h9-15,20H,3-8,16-17H2,1-2H3/b30-25+
InChIKeyQNNZHOZXCYKOPN-QCWLDUFUSA-N
MW477.52 g/mol
LogP6.46
Rot. Bonds9

About ethyl 2-[4-[(E)-C-cyclohexyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]-2-methylphenoxy]acetate

ethyl 2-[4-[(E)-C-cyclohexyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]-2-methylphenoxy]acetate (PubChem CID 24949129) has the molecular formula C26H30F3NO4 and a molecular weight of 477.52 g/mol. Its IUPAC name is ethyl 2-[4-[(E)-C-cyclohexyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]-2-methylphenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[(E)-C-cyclohexyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]-2-methylphenoxy]acetate
PubChem CID24949129
Molecular FormulaC26H30F3NO4
Molecular Weight477.52 g/mol
Exact Mass477.21
IUPAC Nameethyl 2-[4-[(E)-C-cyclohexyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]-2-methylphenoxy]acetate
SMILESCCOC(=O)COc1ccc(/C(=N/OCc2ccc(C(F)(F)F)cc2)C2CCCCC2)cc1C
InChIInChI=1S/C26H30F3NO4/c1-3-32-24(31)17-33-23-14-11-21(15-18(23)2)25(20-7-5-4-6-8-20)30-34-16-19-9-12-22(13-10-19)26(27,28)29/h9-15,20H,3-8,16-17H2,1-2H3/b30-25+
InChIKeyQNNZHOZXCYKOPN-QCWLDUFUSA-N
XLogP6.46
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.52
LogP ≤ 56.46
H-Bond Donors ≤ 50
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'}

Analyze ethyl 2-[4-[(E)-C-cyclohexyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]-2-methylphenoxy]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[4-[C-(cyclohexylmethyl)-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]-2-methylphenoxy]acetate
CID 74370473
2-[4-[2-cyclopentyl-2-[[4-(trifluoromethyl)phenyl]methoxyimino]ethyl]-2-methylphenoxy]butanoic acid
CID 173144476
2-[4-[(E)-C-[(4-chlorophenyl)methyl]-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]-2-methylphenoxy]acetic acid
CID 24950433
ethyl 2-[4-[(E)-C-benzyl-N-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]carbonimidoyl]-2-methylphenoxy]acetate
CID 24948819
2-[4-[C-benzyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]-2-methylphenoxy]-1-morpholin-4-ylethanone
CID 90021226
1-cyclobutyl-2-[4-[(E)-C-methyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenoxy]ethanone
CID 86292802
ethyl 2-[2-cyano-4-(trifluoromethyl)phenoxy]acetate
CID 59825201
ethyl 2-[4-[2-chloro-4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]sulfanyl-2-methylphenoxy]acetate
CID 20768114
ethyl 2-[4-(2-bromoacetyl)-2-methylphenoxy]acetate
CID 18918343
ethyl 2-(2-methyl-4-propylphenoxy)acetate
CID 134426346
2-[2-methyl-4-[2-thiophen-3-yl-2-[[4-(trifluoromethyl)phenyl]methoxyimino]ethyl]phenoxy]-N-(oxan-4-ylmethyl)acetamide
CID 173469237
ethyl 2-[2-methyl-4-[[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methylsulfanyl]phenoxy]acetate
CID 46839120

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[(E)-C-cyclohexyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]-2-methylphenoxy]acetate?
The IUPAC name of ethyl 2-[4-[(E)-C-cyclohexyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]-2-methylphenoxy]acetate (CID 24949129) is ethyl 2-[4-[(E)-C-cyclohexyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]-2-methylphenoxy]acetate.
What is the SMILES notation for ethyl 2-[4-[(E)-C-cyclohexyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]-2-methylphenoxy]acetate?
The canonical SMILES for ethyl 2-[4-[(E)-C-cyclohexyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]-2-methylphenoxy]acetate is CCOC(=O)COc1ccc(/C(=N/OCc2ccc(C(F)(F)F)cc2)C2CCCCC2)cc1C.
What is the InChIKey of ethyl 2-[4-[(E)-C-cyclohexyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]-2-methylphenoxy]acetate?
The InChIKey is QNNZHOZXCYKOPN-QCWLDUFUSA-N. The full InChI is InChI=1S/C26H30F3NO4/c1-3-32-24(31)17-33-23-14-11-21(15-18(23)2)25(20-7-5-4-6-8-20)30-34-16-19-9-12-22(13-10-19)26(27,28)29/h9-15,20H,3-8,16-17H2,1-2H3/b30-25+.
What are the key properties of ethyl 2-[4-[(E)-C-cyclohexyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]-2-methylphenoxy]acetate?
ethyl 2-[4-[(E)-C-cyclohexyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]-2-methylphenoxy]acetate has a molecular weight of 477.52 g/mol, XLogP of 6.46, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[(E)-C-cyclohexyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]-2-methylphenoxy]acetate is sourced from PubChem (CID 24949129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).