2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(oxolan-3-yloxy)propan-2-yl]acetamide

C16H28N2O3 — CID 119812767

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(oxolan-3-yloxy)propan-2-yl]acetamide
SMILESCC(COC1CCOC1)NC(=O)CC1CC2CCC(C1)N2
InChIInChI=1S/C16H28N2O3/c1-11(9-21-15-4-5-20-10-15)17-16(19)8-12-6-13-2-3-14(7-12)18-13/h11-15,18H,2-10H2,1H3,(H,17,19)
InChIKeyLNMSLUBAOSBSCM-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.22
Rot. Bonds6

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(oxolan-3-yloxy)propan-2-yl]acetamide

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(oxolan-3-yloxy)propan-2-yl]acetamide (PubChem CID 119812767) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(oxolan-3-yloxy)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(oxolan-3-yloxy)propan-2-yl]acetamide
PubChem CID119812767
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(oxolan-3-yloxy)propan-2-yl]acetamide
SMILESCC(COC1CCOC1)NC(=O)CC1CC2CCC(C1)N2
InChIInChI=1S/C16H28N2O3/c1-11(9-21-15-4-5-20-10-15)17-16(19)8-12-6-13-2-3-14(7-12)18-13/h11-15,18H,2-10H2,1H3,(H,17,19)
InChIKeyLNMSLUBAOSBSCM-UHFFFAOYSA-N
XLogP1.22
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(oxolan-3-yloxy)propan-2-yl]acetamide?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(oxolan-3-yloxy)propan-2-yl]acetamide (CID 119812767) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(oxolan-3-yloxy)propan-2-yl]acetamide.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(oxolan-3-yloxy)propan-2-yl]acetamide?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(oxolan-3-yloxy)propan-2-yl]acetamide is CC(COC1CCOC1)NC(=O)CC1CC2CCC(C1)N2.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(oxolan-3-yloxy)propan-2-yl]acetamide?
The InChIKey is LNMSLUBAOSBSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-11(9-21-15-4-5-20-10-15)17-16(19)8-12-6-13-2-3-14(7-12)18-13/h11-15,18H,2-10H2,1H3,(H,17,19).
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(oxolan-3-yloxy)propan-2-yl]acetamide?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(oxolan-3-yloxy)propan-2-yl]acetamide has a molecular weight of 296.41 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(oxolan-3-yloxy)propan-2-yl]acetamide is sourced from PubChem (CID 119812767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).