N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(4,4-difluoropiperidin-1-yl)-1-oxobutan-2-yl]acetamide;ethane

C20H34F4N2O3 — CID 170755531

IUPACN-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(4,4-difluoropiperidin-1-yl)-1-oxobutan-2-yl]acetamide;ethane
SMILESCC.CC(=O)NC(C(=O)N1CCC(F)(F)CC1)C(C)OCC1CCC(F)(F)CC1
InChIInChI=1S/C18H28F4N2O3.C2H6/c1-12(27-11-14-3-5-17(19,20)6-4-14)15(23-13(2)25)16(26)24-9-7-18(21,22)8-10-24;1-2/h12,14-15H,3-11H2,1-2H3,(H,23,25);1-2H3
InChIKeyRCYKVRMLYCMMQX-UHFFFAOYSA-N
MW426.50 g/mol
LogP4.01
Rot. Bonds6

About N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(4,4-difluoropiperidin-1-yl)-1-oxobutan-2-yl]acetamide;ethane

N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(4,4-difluoropiperidin-1-yl)-1-oxobutan-2-yl]acetamide;ethane (PubChem CID 170755531) has the molecular formula C20H34F4N2O3 and a molecular weight of 426.50 g/mol. Its IUPAC name is N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(4,4-difluoropiperidin-1-yl)-1-oxobutan-2-yl]acetamide;ethane.

Molecular Properties

Compound NameN-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(4,4-difluoropiperidin-1-yl)-1-oxobutan-2-yl]acetamide;ethane
PubChem CID170755531
Molecular FormulaC20H34F4N2O3
Molecular Weight426.50 g/mol
Exact Mass426.25
IUPAC NameN-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(4,4-difluoropiperidin-1-yl)-1-oxobutan-2-yl]acetamide;ethane
SMILESCC.CC(=O)NC(C(=O)N1CCC(F)(F)CC1)C(C)OCC1CCC(F)(F)CC1
InChIInChI=1S/C18H28F4N2O3.C2H6/c1-12(27-11-14-3-5-17(19,20)6-4-14)15(23-13(2)25)16(26)24-9-7-18(21,22)8-10-24;1-2/h12,14-15H,3-11H2,1-2H3,(H,23,25);1-2H3
InChIKeyRCYKVRMLYCMMQX-UHFFFAOYSA-N
XLogP4.01
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.50
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[2-[3-fluoro-5-(trifluoromethyl)cyclohexyl]oxyethyl]-4-methyl-2-(methylamino)pentanamide
CID 118349035
1-[3-Amino-2-[(4-propan-2-ylcyclohexyl)oxymethyl]piperidin-1-yl]-2,2,3,3,4,4,4-heptafluorobutan-1-one
CID 162606109
N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-oxo-1-[4-(trifluoromethyl)piperidin-1-yl]butan-2-yl]acetamide;ethane
CID 164603899
N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-oxo-1-[4-(trifluoromethyl)piperidin-1-yl]butan-2-yl]acetamide
CID 164603900
(2S,3R)-2-amino-3-[(4,4-difluorocyclohexyl)methoxy]-1-(4,4-dimethylpiperidin-1-yl)butan-1-one
CID 164604108
N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-oxo-1-[4-(trifluoromethoxy)piperidin-1-yl]butan-2-yl]acetamide
CID 164604109
2-methyl-N-[3-(oxan-4-ylmethoxy)-1-oxo-1-[3-(trifluoromethoxymethyl)piperidin-1-yl]butan-2-yl]propanamide
CID 164604142
N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-oxobutan-2-yl]acetamide
CID 164604383
(2S,3R)-2-amino-3-[(4,4-difluorocyclohexyl)methoxy]-1-morpholin-4-ylbutan-1-one
CID 164604473
N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-morpholin-4-yl-1-oxobutan-2-yl]acetamide
CID 164604550
N-[1-(4,4-difluoropiperidin-1-yl)-3-(oxan-4-ylmethoxy)-1-oxobutan-2-yl]acetamide
CID 164604744
N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1-oxobutan-2-yl]acetamide
CID 164604815

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(4,4-difluoropiperidin-1-yl)-1-oxobutan-2-yl]acetamide;ethane?
The IUPAC name of N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(4,4-difluoropiperidin-1-yl)-1-oxobutan-2-yl]acetamide;ethane (CID 170755531) is N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(4,4-difluoropiperidin-1-yl)-1-oxobutan-2-yl]acetamide;ethane.
What is the SMILES notation for N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(4,4-difluoropiperidin-1-yl)-1-oxobutan-2-yl]acetamide;ethane?
The canonical SMILES for N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(4,4-difluoropiperidin-1-yl)-1-oxobutan-2-yl]acetamide;ethane is CC.CC(=O)NC(C(=O)N1CCC(F)(F)CC1)C(C)OCC1CCC(F)(F)CC1.
What is the InChIKey of N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(4,4-difluoropiperidin-1-yl)-1-oxobutan-2-yl]acetamide;ethane?
The InChIKey is RCYKVRMLYCMMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28F4N2O3.C2H6/c1-12(27-11-14-3-5-17(19,20)6-4-14)15(23-13(2)25)16(26)24-9-7-18(21,22)8-10-24;1-2/h12,14-15H,3-11H2,1-2H3,(H,23,25);1-2H3.
What are the key properties of N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(4,4-difluoropiperidin-1-yl)-1-oxobutan-2-yl]acetamide;ethane?
N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(4,4-difluoropiperidin-1-yl)-1-oxobutan-2-yl]acetamide;ethane has a molecular weight of 426.50 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(4,4-difluoropiperidin-1-yl)-1-oxobutan-2-yl]acetamide;ethane is sourced from PubChem (CID 170755531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).