[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 4-cyclohexylbutanoate

C19H25F2NO4 — CID 55307493

IUPAC[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 4-cyclohexylbutanoate
SMILESO=C(COC(=O)CCCC1CCCCC1)Nc1ccccc1OC(F)F
InChIInChI=1S/C19H25F2NO4/c20-19(21)26-16-11-5-4-10-15(16)22-17(23)13-25-18(24)12-6-9-14-7-2-1-3-8-14/h4-5,10-11,14,19H,1-3,6-9,12-13H2,(H,22,23)
InChIKeyDGYJSXWRPJBVRY-UHFFFAOYSA-N
MW369.41 g/mol
LogP4.52
Rot. Bonds9

About [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 4-cyclohexylbutanoate

[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 4-cyclohexylbutanoate (PubChem CID 55307493) has the molecular formula C19H25F2NO4 and a molecular weight of 369.41 g/mol. Its IUPAC name is [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 4-cyclohexylbutanoate.

Molecular Properties

Compound Name[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 4-cyclohexylbutanoate
PubChem CID55307493
Molecular FormulaC19H25F2NO4
Molecular Weight369.41 g/mol
Exact Mass369.18
IUPAC Name[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 4-cyclohexylbutanoate
SMILESO=C(COC(=O)CCCC1CCCCC1)Nc1ccccc1OC(F)F
InChIInChI=1S/C19H25F2NO4/c20-19(21)26-16-11-5-4-10-15(16)22-17(23)13-25-18(24)12-6-9-14-7-2-1-3-8-14/h4-5,10-11,14,19H,1-3,6-9,12-13H2,(H,22,23)
InChIKeyDGYJSXWRPJBVRY-UHFFFAOYSA-N
XLogP4.52
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.41
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-iodoanilino)-2-oxoethyl] 4-cyclohexylbutanoate
CID 18293041
2-cyclohexyl-N-[2-(difluoromethoxy)phenyl]acetamide
CID 112793238
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] cyclopropanecarboxylate
CID 2510947
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 4-oxopentanoate
CID 8613385
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3,3-dimethylbutanoate
CID 7950713
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 4-(4-methylphenoxy)butanoate
CID 7147730
[2-(4-carbamoylanilino)-2-oxoethyl] 4-cyclohexylbutanoate
CID 7554876
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate
CID 9139967
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 7840498
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate
CID 3529146
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
CID 2399542
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-naphthalen-1-yloxyacetate
CID 35775354

Frequently Asked Questions

What is the IUPAC name of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 4-cyclohexylbutanoate?
The IUPAC name of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 4-cyclohexylbutanoate (CID 55307493) is [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 4-cyclohexylbutanoate.
What is the SMILES notation for [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 4-cyclohexylbutanoate?
The canonical SMILES for [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 4-cyclohexylbutanoate is O=C(COC(=O)CCCC1CCCCC1)Nc1ccccc1OC(F)F.
What is the InChIKey of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 4-cyclohexylbutanoate?
The InChIKey is DGYJSXWRPJBVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F2NO4/c20-19(21)26-16-11-5-4-10-15(16)22-17(23)13-25-18(24)12-6-9-14-7-2-1-3-8-14/h4-5,10-11,14,19H,1-3,6-9,12-13H2,(H,22,23).
What are the key properties of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 4-cyclohexylbutanoate?
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 4-cyclohexylbutanoate has a molecular weight of 369.41 g/mol, XLogP of 4.52, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 4-cyclohexylbutanoate is sourced from PubChem (CID 55307493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).