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

C22H36F2N2O4 — CID 171594012

IUPACN-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-1-oxobutan-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC(C(=O)N1CCC2(CC1)COC2)C(C)OCC1CCC(F)(F)CC1
InChIInChI=1S/C22H36F2N2O4/c1-15(2)19(27)25-18(16(3)30-12-17-4-6-22(23,24)7-5-17)20(28)26-10-8-21(9-11-26)13-29-14-21/h15-18H,4-14H2,1-3H3,(H,25,27)
InChIKeyVJIIYNIJIOMLTG-UHFFFAOYSA-N
MW430.54 g/mol
LogP3.00
Rot. Bonds7

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

N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-1-oxobutan-2-yl]-2-methylpropanamide (PubChem CID 171594012) has the molecular formula C22H36F2N2O4 and a molecular weight of 430.54 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]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-1-oxobutan-2-yl]-2-methylpropanamide
PubChem CID171594012
Molecular FormulaC22H36F2N2O4
Molecular Weight430.54 g/mol
Exact Mass430.26
IUPAC NameN-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-1-oxobutan-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC(C(=O)N1CCC2(CC1)COC2)C(C)OCC1CCC(F)(F)CC1
InChIInChI=1S/C22H36F2N2O4/c1-15(2)19(27)25-18(16(3)30-12-17-4-6-22(23,24)7-5-17)20(28)26-10-8-21(9-11-26)13-29-14-21/h15-18H,4-14H2,1-3H3,(H,25,27)
InChIKeyVJIIYNIJIOMLTG-UHFFFAOYSA-N
XLogP3.00
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.54
LogP ≤ 53.00
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]-2-methylpropanamide?
The IUPAC name of N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-1-oxobutan-2-yl]-2-methylpropanamide (CID 171594012) is N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-1-oxobutan-2-yl]-2-methylpropanamide.
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]-2-methylpropanamide?
The canonical SMILES for N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-1-oxobutan-2-yl]-2-methylpropanamide is CC(C)C(=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]-2-methylpropanamide?
The InChIKey is VJIIYNIJIOMLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36F2N2O4/c1-15(2)19(27)25-18(16(3)30-12-17-4-6-22(23,24)7-5-17)20(28)26-10-8-21(9-11-26)13-29-14-21/h15-18H,4-14H2,1-3H3,(H,25,27).
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]-2-methylpropanamide?
N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-1-oxobutan-2-yl]-2-methylpropanamide has a molecular weight of 430.54 g/mol, XLogP of 3.00, 7 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]-2-methylpropanamide is sourced from PubChem (CID 171594012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).