2-ethyl-2-fluoro-N-(4-methyl-1-azabicyclo[3.2.2]nonan-4-yl)butanamide

C15H27FN2O — CID 167210945

IUPAC2-ethyl-2-fluoro-N-(4-methyl-1-azabicyclo[3.2.2]nonan-4-yl)butanamide
SMILESCCC(F)(CC)C(=O)NC1(C)CCN2CCC1CC2
InChIInChI=1S/C15H27FN2O/c1-4-15(16,5-2)13(19)17-14(3)8-11-18-9-6-12(14)7-10-18/h12H,4-11H2,1-3H3,(H,17,19)
InChIKeyUVNQQFFJWHJCJZ-UHFFFAOYSA-N
MW270.39 g/mol
LogP2.51
Rot. Bonds4

About 2-ethyl-2-fluoro-N-(4-methyl-1-azabicyclo[3.2.2]nonan-4-yl)butanamide

2-ethyl-2-fluoro-N-(4-methyl-1-azabicyclo[3.2.2]nonan-4-yl)butanamide (PubChem CID 167210945) has the molecular formula C15H27FN2O and a molecular weight of 270.39 g/mol. Its IUPAC name is 2-ethyl-2-fluoro-N-(4-methyl-1-azabicyclo[3.2.2]nonan-4-yl)butanamide.

Molecular Properties

Compound Name2-ethyl-2-fluoro-N-(4-methyl-1-azabicyclo[3.2.2]nonan-4-yl)butanamide
PubChem CID167210945
Molecular FormulaC15H27FN2O
Molecular Weight270.39 g/mol
Exact Mass270.21
IUPAC Name2-ethyl-2-fluoro-N-(4-methyl-1-azabicyclo[3.2.2]nonan-4-yl)butanamide
SMILESCCC(F)(CC)C(=O)NC1(C)CCN2CCC1CC2
InChIInChI=1S/C15H27FN2O/c1-4-15(16,5-2)13(19)17-14(3)8-11-18-9-6-12(14)7-10-18/h12H,4-11H2,1-3H3,(H,17,19)
InChIKeyUVNQQFFJWHJCJZ-UHFFFAOYSA-N
XLogP2.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.39
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-fluoro-N-(3-methyl-1-azabicyclo[2.2.2]octan-3-yl)piperidine-4-carboxamide
CID 118254851
N-[(1-ethylcyclopropyl)methyl]-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carboxamide
CID 119044403
2,2,2-trifluoro-N-[(4S,5S)-5-hydroxy-4-methylazepan-4-yl]acetamide
CID 89457900
ethyl 2-fluoro-2-(4-hydroxy-1-azabicyclo[3.2.1]octan-4-yl)acetate
CID 105366099
methyl 4-hydroxy-1-azabicyclo[3.2.1]octane-4-carboxylate
CID 105441572
1-(4,4-dimethylpiperidin-1-yl)ethanone;propane
CID 166079085
methyl 4-amino-1-azabicyclo[3.2.1]octane-4-carboxylate
CID 105441158
2-amino-2-ethyl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]butanamide
CID 79813853
ethyl 3-(4-hydroxy-1-azabicyclo[3.2.1]octan-4-yl)propanoate
CID 105366095
2-(aminomethyl)-2-ethyl-N-(1-methylcyclopentyl)butanamide
CID 64688429
3-amino-2,2-difluoro-N-(1-methylcyclopropyl)propanamide
CID 130600886
4-(trifluoromethyl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105366105

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-fluoro-N-(4-methyl-1-azabicyclo[3.2.2]nonan-4-yl)butanamide?
The IUPAC name of 2-ethyl-2-fluoro-N-(4-methyl-1-azabicyclo[3.2.2]nonan-4-yl)butanamide (CID 167210945) is 2-ethyl-2-fluoro-N-(4-methyl-1-azabicyclo[3.2.2]nonan-4-yl)butanamide.
What is the SMILES notation for 2-ethyl-2-fluoro-N-(4-methyl-1-azabicyclo[3.2.2]nonan-4-yl)butanamide?
The canonical SMILES for 2-ethyl-2-fluoro-N-(4-methyl-1-azabicyclo[3.2.2]nonan-4-yl)butanamide is CCC(F)(CC)C(=O)NC1(C)CCN2CCC1CC2.
What is the InChIKey of 2-ethyl-2-fluoro-N-(4-methyl-1-azabicyclo[3.2.2]nonan-4-yl)butanamide?
The InChIKey is UVNQQFFJWHJCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27FN2O/c1-4-15(16,5-2)13(19)17-14(3)8-11-18-9-6-12(14)7-10-18/h12H,4-11H2,1-3H3,(H,17,19).
What are the key properties of 2-ethyl-2-fluoro-N-(4-methyl-1-azabicyclo[3.2.2]nonan-4-yl)butanamide?
2-ethyl-2-fluoro-N-(4-methyl-1-azabicyclo[3.2.2]nonan-4-yl)butanamide has a molecular weight of 270.39 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-fluoro-N-(4-methyl-1-azabicyclo[3.2.2]nonan-4-yl)butanamide is sourced from PubChem (CID 167210945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).