N-(4-amino-2-methyl-4-oxobutan-2-yl)-4,4-difluorocyclohexane-1-carboxamide

C12H20F2N2O2 — CID 86789781

IUPACN-(4-amino-2-methyl-4-oxobutan-2-yl)-4,4-difluorocyclohexane-1-carboxamide
SMILESCC(C)(CC(N)=O)NC(=O)C1CCC(F)(F)CC1
InChIInChI=1S/C12H20F2N2O2/c1-11(2,7-9(15)17)16-10(18)8-3-5-12(13,14)6-4-8/h8H,3-7H2,1-2H3,(H2,15,17)(H,16,18)
InChIKeyWFSBCANALCLICA-UHFFFAOYSA-N
MW262.30 g/mol
LogP1.58
Rot. Bonds4

About N-(4-amino-2-methyl-4-oxobutan-2-yl)-4,4-difluorocyclohexane-1-carboxamide

N-(4-amino-2-methyl-4-oxobutan-2-yl)-4,4-difluorocyclohexane-1-carboxamide (PubChem CID 86789781) has the molecular formula C12H20F2N2O2 and a molecular weight of 262.30 g/mol. Its IUPAC name is N-(4-amino-2-methyl-4-oxobutan-2-yl)-4,4-difluorocyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(4-amino-2-methyl-4-oxobutan-2-yl)-4,4-difluorocyclohexane-1-carboxamide
PubChem CID86789781
Molecular FormulaC12H20F2N2O2
Molecular Weight262.30 g/mol
Exact Mass262.15
IUPAC NameN-(4-amino-2-methyl-4-oxobutan-2-yl)-4,4-difluorocyclohexane-1-carboxamide
SMILESCC(C)(CC(N)=O)NC(=O)C1CCC(F)(F)CC1
InChIInChI=1S/C12H20F2N2O2/c1-11(2,7-9(15)17)16-10(18)8-3-5-12(13,14)6-4-8/h8H,3-7H2,1-2H3,(H2,15,17)(H,16,18)
InChIKeyWFSBCANALCLICA-UHFFFAOYSA-N
XLogP1.58
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-amino-2-methyl-4-oxobutan-2-yl)azetidine-3-carboxamide
CID 106096459
2-(aminomethyl)-N-(4-amino-2-methyl-4-oxobutan-2-yl)cyclohexane-1-carboxamide
CID 106096489
3-(2-aminoethyl)-N-(4-amino-2-methyl-4-oxobutan-2-yl)cyclohexane-1-carboxamide
CID 106098538
3-[(4,4-difluorocyclohexanecarbonyl)amino]-4-methoxy-3-methylbutanoic acid
CID 120532395
N-(4-amino-2-methyl-4-oxobutan-2-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 106096594
N-(4-amino-2-methyl-4-oxobutan-2-yl)-5-methyloxolane-2-carboxamide
CID 86789765
6-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 114142783
(1S,6R)-6-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 106095716
3-[(N'-ethylcarbamimidoyl)amino]-3-methylbutanamide
CID 106096960
N-(4-hydroxy-2-methylbutan-2-yl)cyclobutanecarboxamide
CID 115869890
3-methyl-3-[(2-pyrrolidin-3-ylacetyl)amino]butanamide
CID 106096629
N-(4-amino-2-methyl-4-oxobutan-2-yl)piperazine-2-carboxamide
CID 106096831

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methyl-4-oxobutan-2-yl)-4,4-difluorocyclohexane-1-carboxamide?
The IUPAC name of N-(4-amino-2-methyl-4-oxobutan-2-yl)-4,4-difluorocyclohexane-1-carboxamide (CID 86789781) is N-(4-amino-2-methyl-4-oxobutan-2-yl)-4,4-difluorocyclohexane-1-carboxamide.
What is the SMILES notation for N-(4-amino-2-methyl-4-oxobutan-2-yl)-4,4-difluorocyclohexane-1-carboxamide?
The canonical SMILES for N-(4-amino-2-methyl-4-oxobutan-2-yl)-4,4-difluorocyclohexane-1-carboxamide is CC(C)(CC(N)=O)NC(=O)C1CCC(F)(F)CC1.
What is the InChIKey of N-(4-amino-2-methyl-4-oxobutan-2-yl)-4,4-difluorocyclohexane-1-carboxamide?
The InChIKey is WFSBCANALCLICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F2N2O2/c1-11(2,7-9(15)17)16-10(18)8-3-5-12(13,14)6-4-8/h8H,3-7H2,1-2H3,(H2,15,17)(H,16,18).
What are the key properties of N-(4-amino-2-methyl-4-oxobutan-2-yl)-4,4-difluorocyclohexane-1-carboxamide?
N-(4-amino-2-methyl-4-oxobutan-2-yl)-4,4-difluorocyclohexane-1-carboxamide has a molecular weight of 262.30 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methyl-4-oxobutan-2-yl)-4,4-difluorocyclohexane-1-carboxamide is sourced from PubChem (CID 86789781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).