2-cyclohexyloxy-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide

C17H23F2NO3 — CID 87000610

IUPAC2-cyclohexyloxy-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide
SMILESCN(Cc1ccc(OC(F)F)cc1)C(=O)COC1CCCCC1
InChIInChI=1S/C17H23F2NO3/c1-20(16(21)12-22-14-5-3-2-4-6-14)11-13-7-9-15(10-8-13)23-17(18)19/h7-10,14,17H,2-6,11-12H2,1H3
InChIKeyLJXPIQALPUNVJA-UHFFFAOYSA-N
MW327.37 g/mol
LogP3.60
Rot. Bonds7

About 2-cyclohexyloxy-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide

2-cyclohexyloxy-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide (PubChem CID 87000610) has the molecular formula C17H23F2NO3 and a molecular weight of 327.37 g/mol. Its IUPAC name is 2-cyclohexyloxy-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-cyclohexyloxy-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide
PubChem CID87000610
Molecular FormulaC17H23F2NO3
Molecular Weight327.37 g/mol
Exact Mass327.16
IUPAC Name2-cyclohexyloxy-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide
SMILESCN(Cc1ccc(OC(F)F)cc1)C(=O)COC1CCCCC1
InChIInChI=1S/C17H23F2NO3/c1-20(16(21)12-22-14-5-3-2-4-6-14)11-13-7-9-15(10-8-13)23-17(18)19/h7-10,14,17H,2-6,11-12H2,1H3
InChIKeyLJXPIQALPUNVJA-UHFFFAOYSA-N
XLogP3.60
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(difluoromethoxy)phenyl]methyl]-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-methylacetamide
CID 51140706
2-(2-aminoethoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide
CID 79474111
N-[[4-(difluoromethoxy)phenyl]methyl]-2-(3-hydroxypiperidin-1-yl)-N-methylacetamide
CID 78787306
2-(cyclopropylmethylamino)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide;hydrochloride
CID 119681823
3-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpropanamide
CID 43470699
2-(3,5-dichlorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide
CID 112778072
(2S)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpiperidine-2-carboxamide
CID 103808021
2-(2-chlorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide
CID 78762115
2-benzhydryloxy-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide
CID 55359274
4-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylbutanamide
CID 55206157
N-[[4-(difluoromethoxy)phenyl]methyl]-2-(2-fluorophenoxy)-N-methylacetamide
CID 78762062
2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide
CID 37135714

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyloxy-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide?
The IUPAC name of 2-cyclohexyloxy-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide (CID 87000610) is 2-cyclohexyloxy-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide.
What is the SMILES notation for 2-cyclohexyloxy-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide?
The canonical SMILES for 2-cyclohexyloxy-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide is CN(Cc1ccc(OC(F)F)cc1)C(=O)COC1CCCCC1.
What is the InChIKey of 2-cyclohexyloxy-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide?
The InChIKey is LJXPIQALPUNVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2NO3/c1-20(16(21)12-22-14-5-3-2-4-6-14)11-13-7-9-15(10-8-13)23-17(18)19/h7-10,14,17H,2-6,11-12H2,1H3.
What are the key properties of 2-cyclohexyloxy-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide?
2-cyclohexyloxy-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide has a molecular weight of 327.37 g/mol, XLogP of 3.60, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyloxy-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide is sourced from PubChem (CID 87000610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).