4-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)hexanamide

C13H24N2O2 — CID 144600531

IUPAC4-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)hexanamide
SMILESCC(CCC(N)=O)CCN1CC2CCC(C1)O2
InChIInChI=1S/C13H24N2O2/c1-10(2-5-13(14)16)6-7-15-8-11-3-4-12(9-15)17-11/h10-12H,2-9H2,1H3,(H2,14,16)
InChIKeyPZAKPGRWEQATPN-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.14
Rot. Bonds6

About 4-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)hexanamide

4-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)hexanamide (PubChem CID 144600531) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 4-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)hexanamide.

Molecular Properties

Compound Name4-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)hexanamide
PubChem CID144600531
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name4-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)hexanamide
SMILESCC(CCC(N)=O)CCN1CC2CCC(C1)O2
InChIInChI=1S/C13H24N2O2/c1-10(2-5-13(14)16)6-7-15-8-11-3-4-12(9-15)17-11/h10-12H,2-9H2,1H3,(H2,14,16)
InChIKeyPZAKPGRWEQATPN-UHFFFAOYSA-N
XLogP1.14
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)hexanamide?
The IUPAC name of 4-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)hexanamide (CID 144600531) is 4-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)hexanamide.
What is the SMILES notation for 4-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)hexanamide?
The canonical SMILES for 4-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)hexanamide is CC(CCC(N)=O)CCN1CC2CCC(C1)O2.
What is the InChIKey of 4-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)hexanamide?
The InChIKey is PZAKPGRWEQATPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-10(2-5-13(14)16)6-7-15-8-11-3-4-12(9-15)17-11/h10-12H,2-9H2,1H3,(H2,14,16).
What are the key properties of 4-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)hexanamide?
4-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)hexanamide has a molecular weight of 240.35 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)hexanamide is sourced from PubChem (CID 144600531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).