1-(3-propan-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one;3-propan-2-yloxyoxolane

C20H37NO4 — CID 158273565

IUPAC1-(3-propan-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one;3-propan-2-yloxyoxolane
SMILESCC(C)OC1CCOC1.CCC(=O)N1C2CCC1CC(OC(C)C)C2
InChIInChI=1S/C13H23NO2.C7H14O2/c1-4-13(15)14-10-5-6-11(14)8-12(7-10)16-9(2)3;1-6(2)9-7-3-4-8-5-7/h9-12H,4-8H2,1-3H3;6-7H,3-5H2,1-2H3
InChIKeyGJIJMVGFKYPBPG-UHFFFAOYSA-N
MW355.52 g/mol
LogP3.54
Rot. Bonds5

About 1-(3-propan-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one;3-propan-2-yloxyoxolane

1-(3-propan-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one;3-propan-2-yloxyoxolane (PubChem CID 158273565) has the molecular formula C20H37NO4 and a molecular weight of 355.52 g/mol. Its IUPAC name is 1-(3-propan-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one;3-propan-2-yloxyoxolane.

Molecular Properties

Compound Name1-(3-propan-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one;3-propan-2-yloxyoxolane
PubChem CID158273565
Molecular FormulaC20H37NO4
Molecular Weight355.52 g/mol
Exact Mass355.27
IUPAC Name1-(3-propan-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one;3-propan-2-yloxyoxolane
SMILESCC(C)OC1CCOC1.CCC(=O)N1C2CCC1CC(OC(C)C)C2
InChIInChI=1S/C13H23NO2.C7H14O2/c1-4-13(15)14-10-5-6-11(14)8-12(7-10)16-9(2)3;1-6(2)9-7-3-4-8-5-7/h9-12H,4-8H2,1-3H3;6-7H,3-5H2,1-2H3
InChIKeyGJIJMVGFKYPBPG-UHFFFAOYSA-N
XLogP3.54
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.52
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3-propan-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one;3-propan-2-yloxyoxolane with MolForge

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Related Compounds

1-(3-propan-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
CID 131971592
methyl (2R)-2-(oxolan-3-yloxy)propanoate
CID 103338002
ethyl 2-(oxolan-3-yloxy)pentanoate
CID 83038172
[(3S)-oxolan-3-yl] (2S)-2-bromopropanoate
CID 11470107
[(2S,3S)-3-cyclopropylaziridin-2-yl]-[(1S,5R)-3-propan-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 170054932
2-(oxan-4-yloxy)pentan-3-one
CID 64867602
oxolan-3-yl 2-amino-4-methylpentanoate
CID 63559458
oxolan-3-ylmethyl 3-methyl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 70823810
oxolan-3-yl 4-amino-3-methylbutanoate
CID 81072972
ethyl 3-[5-fluoro-1-[fluoro-[(3R)-oxolan-3-yl]oxymethyl]spiro[2H-indole-3,4'-piperidine]-1'-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate;molecular hydrogen
CID 159309008
4-[1-(oxolan-3-yloxy)ethyl]benzamide
CID 154052713
oxolan-3-yl 5-amino-2-methylpentanoate
CID 104686034

Frequently Asked Questions

What is the IUPAC name of 1-(3-propan-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one;3-propan-2-yloxyoxolane?
The IUPAC name of 1-(3-propan-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one;3-propan-2-yloxyoxolane (CID 158273565) is 1-(3-propan-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one;3-propan-2-yloxyoxolane.
What is the SMILES notation for 1-(3-propan-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one;3-propan-2-yloxyoxolane?
The canonical SMILES for 1-(3-propan-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one;3-propan-2-yloxyoxolane is CC(C)OC1CCOC1.CCC(=O)N1C2CCC1CC(OC(C)C)C2.
What is the InChIKey of 1-(3-propan-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one;3-propan-2-yloxyoxolane?
The InChIKey is GJIJMVGFKYPBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2.C7H14O2/c1-4-13(15)14-10-5-6-11(14)8-12(7-10)16-9(2)3;1-6(2)9-7-3-4-8-5-7/h9-12H,4-8H2,1-3H3;6-7H,3-5H2,1-2H3.
What are the key properties of 1-(3-propan-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one;3-propan-2-yloxyoxolane?
1-(3-propan-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one;3-propan-2-yloxyoxolane has a molecular weight of 355.52 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propan-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one;3-propan-2-yloxyoxolane is sourced from PubChem (CID 158273565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).