3-methyl-3-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)butanamide

C12H20N2O2 — CID 106098520

IUPAC3-methyl-3-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)butanamide
SMILESCC(C)(CC(N)=O)N1C2CCC1CC(=O)C2
InChIInChI=1S/C12H20N2O2/c1-12(2,7-11(13)16)14-8-3-4-9(14)6-10(15)5-8/h8-9H,3-7H2,1-2H3,(H2,13,16)
InChIKeyYSMJGXAAIFVHRT-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.84
Rot. Bonds3

About 3-methyl-3-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)butanamide

3-methyl-3-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)butanamide (PubChem CID 106098520) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 3-methyl-3-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)butanamide.

Molecular Properties

Compound Name3-methyl-3-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)butanamide
PubChem CID106098520
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name3-methyl-3-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)butanamide
SMILESCC(C)(CC(N)=O)N1C2CCC1CC(=O)C2
InChIInChI=1S/C12H20N2O2/c1-12(2,7-11(13)16)14-8-3-4-9(14)6-10(15)5-8/h8-9H,3-7H2,1-2H3,(H2,13,16)
InChIKeyYSMJGXAAIFVHRT-UHFFFAOYSA-N
XLogP0.84
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)butanamide?
The IUPAC name of 3-methyl-3-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)butanamide (CID 106098520) is 3-methyl-3-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)butanamide.
What is the SMILES notation for 3-methyl-3-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)butanamide?
The canonical SMILES for 3-methyl-3-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)butanamide is CC(C)(CC(N)=O)N1C2CCC1CC(=O)C2.
What is the InChIKey of 3-methyl-3-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)butanamide?
The InChIKey is YSMJGXAAIFVHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-12(2,7-11(13)16)14-8-3-4-9(14)6-10(15)5-8/h8-9H,3-7H2,1-2H3,(H2,13,16).
What are the key properties of 3-methyl-3-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)butanamide?
3-methyl-3-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)butanamide has a molecular weight of 224.30 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)butanamide is sourced from PubChem (CID 106098520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).