3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-N-propan-2-ylpropanamide

C13H24N2O2 — CID 63769780

IUPAC3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCN1C2CCC1CC(O)C2
InChIInChI=1S/C13H24N2O2/c1-9(2)14-13(17)5-6-15-10-3-4-11(15)8-12(16)7-10/h9-12,16H,3-8H2,1-2H3,(H,14,17)
InChIKeySGWPXRKUJTXFER-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.89
Rot. Bonds4

About 3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-N-propan-2-ylpropanamide

3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-N-propan-2-ylpropanamide (PubChem CID 63769780) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-N-propan-2-ylpropanamide
PubChem CID63769780
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCN1C2CCC1CC(O)C2
InChIInChI=1S/C13H24N2O2/c1-9(2)14-13(17)5-6-15-10-3-4-11(15)8-12(16)7-10/h9-12,16H,3-8H2,1-2H3,(H,14,17)
InChIKeySGWPXRKUJTXFER-UHFFFAOYSA-N
XLogP0.89
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-N-(methylcarbamoyl)propanamide
CID 63770145
8-(3-methylbut-3-enyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 114448981
2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-N-methylacetamide
CID 63768000
(1R,5R)-8-propyl-8-azabicyclo[3.2.1]octan-3-ol
CID 6946851
2-[(3-hydroxycyclobutyl)methylamino]-N-propan-2-ylacetamide
CID 66005704
N-(3-aminophenyl)-3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propanamide
CID 63763927
3-methyl-1-[3-oxo-3-(propan-2-ylamino)propyl]pyrrolidine-2-carboxylic acid
CID 102784810
2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-N,N-di(propan-2-yl)acetamide
CID 63770493
8-[(2S)-2-hydroxypropyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 106932829
(1S,5S)-9-propyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 98069992
(1R,5R)-9-propyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 98069991
3-[3-methyl-4-(methylamino)piperidin-1-yl]-N-propan-2-ylpropanamide
CID 114499150

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-N-propan-2-ylpropanamide?
The IUPAC name of 3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-N-propan-2-ylpropanamide (CID 63769780) is 3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-N-propan-2-ylpropanamide?
The canonical SMILES for 3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-N-propan-2-ylpropanamide is CC(C)NC(=O)CCN1C2CCC1CC(O)C2.
What is the InChIKey of 3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-N-propan-2-ylpropanamide?
The InChIKey is SGWPXRKUJTXFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-9(2)14-13(17)5-6-15-10-3-4-11(15)8-12(16)7-10/h9-12,16H,3-8H2,1-2H3,(H,14,17).
What are the key properties of 3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-N-propan-2-ylpropanamide?
3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-N-propan-2-ylpropanamide has a molecular weight of 240.35 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-N-propan-2-ylpropanamide is sourced from PubChem (CID 63769780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).