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

C20H36F2N2O4 — CID 164604854

IUPACN-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(4-hydroxypiperidin-1-yl)-1-oxobutan-2-yl]acetamide;ethane
SMILESCC.CC(=O)NC(C(=O)N1CCC(O)CC1)C(C)OCC1CCC(F)(F)CC1
InChIInChI=1S/C18H30F2N2O4.C2H6/c1-12(26-11-14-3-7-18(19,20)8-4-14)16(21-13(2)23)17(25)22-9-5-15(24)6-10-22;1-2/h12,14-16,24H,3-11H2,1-2H3,(H,21,23);1-2H3
InChIKeyQKHANTSZSCDKJI-UHFFFAOYSA-N
MW406.51 g/mol
LogP2.73
Rot. Bonds6

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

N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(4-hydroxypiperidin-1-yl)-1-oxobutan-2-yl]acetamide;ethane (PubChem CID 164604854) has the molecular formula C20H36F2N2O4 and a molecular weight of 406.51 g/mol. Its IUPAC name is N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(4-hydroxypiperidin-1-yl)-1-oxobutan-2-yl]acetamide;ethane.

Molecular Properties

Compound NameN-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(4-hydroxypiperidin-1-yl)-1-oxobutan-2-yl]acetamide;ethane
PubChem CID164604854
Molecular FormulaC20H36F2N2O4
Molecular Weight406.51 g/mol
Exact Mass406.26
IUPAC NameN-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(4-hydroxypiperidin-1-yl)-1-oxobutan-2-yl]acetamide;ethane
SMILESCC.CC(=O)NC(C(=O)N1CCC(O)CC1)C(C)OCC1CCC(F)(F)CC1
InChIInChI=1S/C18H30F2N2O4.C2H6/c1-12(26-11-14-3-7-18(19,20)8-4-14)16(21-13(2)23)17(25)22-9-5-15(24)6-10-22;1-2/h12,14-16,24H,3-11H2,1-2H3,(H,21,23);1-2H3
InChIKeyQKHANTSZSCDKJI-UHFFFAOYSA-N
XLogP2.73
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-hydroxycyclohexyl)methyl]morpholine-3-carboxamide
CID 65519899
(2S)-N-acetyl-N-[5-[acetyl-[(2S)-2-amino-3-methoxypropanoyl]amino]-1-cyclohexyl-4,4-difluoro-3-hydroxy-6-methylheptan-2-yl]-2-amino-3-methoxypropanamide
CID 22845648
3,6-Bis(acetyl-O-methylserinyl-amino)-7-cyclohexyl-5-hydroxy-4,4-difluoro-2-methylheptane
CID 67748007
(2S)-N-[(2S)-3-(difluoromethoxy)-1-[[(4S)-1-hydroxy-2,2,6-trimethyl-3-oxoheptan-4-yl]amino]-1-oxopropan-2-yl]-2-[[(2S)-3-(difluoromethoxy)-2-[(2-morpholin-4-ylacetyl)amino]propanoyl]amino]-4-methylpentanamide
CID 142340179
(2S,3R,4R)-3-hydroxy-4-methyl-2-[methyl(3-methylbutanoyl)amino]-6-(2,2,6,6-tetrafluoromorpholin-4-yl)hexanamide
CID 163889292
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
3-[[2-Acetamido-3-(cyclohexylmethoxy)butanoyl]amino]-2,2-difluoropropanoic acid;ethane
CID 164604392

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(4-hydroxypiperidin-1-yl)-1-oxobutan-2-yl]acetamide;ethane?
The IUPAC name of N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(4-hydroxypiperidin-1-yl)-1-oxobutan-2-yl]acetamide;ethane (CID 164604854) is N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(4-hydroxypiperidin-1-yl)-1-oxobutan-2-yl]acetamide;ethane.
What is the SMILES notation for N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(4-hydroxypiperidin-1-yl)-1-oxobutan-2-yl]acetamide;ethane?
The canonical SMILES for N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(4-hydroxypiperidin-1-yl)-1-oxobutan-2-yl]acetamide;ethane is CC.CC(=O)NC(C(=O)N1CCC(O)CC1)C(C)OCC1CCC(F)(F)CC1.
What is the InChIKey of N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(4-hydroxypiperidin-1-yl)-1-oxobutan-2-yl]acetamide;ethane?
The InChIKey is QKHANTSZSCDKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30F2N2O4.C2H6/c1-12(26-11-14-3-7-18(19,20)8-4-14)16(21-13(2)23)17(25)22-9-5-15(24)6-10-22;1-2/h12,14-16,24H,3-11H2,1-2H3,(H,21,23);1-2H3.
What are the key properties of N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(4-hydroxypiperidin-1-yl)-1-oxobutan-2-yl]acetamide;ethane?
N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(4-hydroxypiperidin-1-yl)-1-oxobutan-2-yl]acetamide;ethane has a molecular weight of 406.51 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(4-hydroxypiperidin-1-yl)-1-oxobutan-2-yl]acetamide;ethane is sourced from PubChem (CID 164604854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).