N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-1-oxobutan-2-yl]acetamide;ethane

C22H38F2N2O4 — CID 164604896

IUPACN-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-1-oxobutan-2-yl]acetamide;ethane
SMILESCC.CC(=O)NC(C(=O)N1CCC2(CC1)COC2)C(C)OCC1CCC(F)(F)CC1
InChIInChI=1S/C20H32F2N2O4.C2H6/c1-14(28-11-16-3-5-20(21,22)6-4-16)17(23-15(2)25)18(26)24-9-7-19(8-10-24)12-27-13-19;1-2/h14,16-17H,3-13H2,1-2H3,(H,23,25);1-2H3
InChIKeyKMZYEDUGKCNVIB-UHFFFAOYSA-N
MW432.55 g/mol
LogP3.39
Rot. Bonds6

About N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-1-oxobutan-2-yl]acetamide;ethane

N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-1-oxobutan-2-yl]acetamide;ethane (PubChem CID 164604896) has the molecular formula C22H38F2N2O4 and a molecular weight of 432.55 g/mol. Its IUPAC name is N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-1-oxobutan-2-yl]acetamide;ethane.

Molecular Properties

Compound NameN-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-1-oxobutan-2-yl]acetamide;ethane
PubChem CID164604896
Molecular FormulaC22H38F2N2O4
Molecular Weight432.55 g/mol
Exact Mass432.28
IUPAC NameN-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-1-oxobutan-2-yl]acetamide;ethane
SMILESCC.CC(=O)NC(C(=O)N1CCC2(CC1)COC2)C(C)OCC1CCC(F)(F)CC1
InChIInChI=1S/C20H32F2N2O4.C2H6/c1-14(28-11-16-3-5-20(21,22)6-4-16)17(23-15(2)25)18(26)24-9-7-19(8-10-24)12-27-13-19;1-2/h14,16-17H,3-13H2,1-2H3,(H,23,25);1-2H3
InChIKeyKMZYEDUGKCNVIB-UHFFFAOYSA-N
XLogP3.39
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
N-[3-(2-oxabicyclo[2.2.2]octan-4-ylmethoxy)-1-oxo-1-[4-(trifluoromethyl)piperidin-1-yl]butan-2-yl]acetamide
CID 164604132
(5S)-N-[(2S,3R)-3-[(4,4-difluorocyclohexyl)methoxy]-1-morpholin-4-yl-1-oxobutan-2-yl]-2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxamide
CID 164604217
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-(2-oxabicyclo[2.2.2]octan-4-ylmethoxy)-1-oxo-1-[3-(trifluoromethoxymethyl)piperidin-1-yl]butan-2-yl]acetamide
CID 164604525
N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-morpholin-4-yl-1-oxobutan-2-yl]acetamide
CID 164604550
N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1-oxobutan-2-yl]acetamide
CID 164604815
N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(4-hydroxypiperidin-1-yl)-1-oxobutan-2-yl]acetamide;ethane
CID 164604854

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-1-oxobutan-2-yl]acetamide;ethane?
The IUPAC name of N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-1-oxobutan-2-yl]acetamide;ethane (CID 164604896) is N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-1-oxobutan-2-yl]acetamide;ethane.
What is the SMILES notation for N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-1-oxobutan-2-yl]acetamide;ethane?
The canonical SMILES for N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-1-oxobutan-2-yl]acetamide;ethane is CC.CC(=O)NC(C(=O)N1CCC2(CC1)COC2)C(C)OCC1CCC(F)(F)CC1.
What is the InChIKey of N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-1-oxobutan-2-yl]acetamide;ethane?
The InChIKey is KMZYEDUGKCNVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32F2N2O4.C2H6/c1-14(28-11-16-3-5-20(21,22)6-4-16)17(23-15(2)25)18(26)24-9-7-19(8-10-24)12-27-13-19;1-2/h14,16-17H,3-13H2,1-2H3,(H,23,25);1-2H3.
What are the key properties of N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-1-oxobutan-2-yl]acetamide;ethane?
N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-1-oxobutan-2-yl]acetamide;ethane has a molecular weight of 432.55 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-1-oxobutan-2-yl]acetamide;ethane is sourced from PubChem (CID 164604896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).