2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(oxan-4-yl)ethyl]acetamide;hydrochloride

C16H29ClN2O2 — CID 119801753

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(oxan-4-yl)ethyl]acetamide;hydrochloride
SMILESCC(NC(=O)CC1CC2CCC(C1)N2)C1CCOCC1.Cl
InChIInChI=1S/C16H28N2O2.ClH/c1-11(13-4-6-20-7-5-13)17-16(19)10-12-8-14-2-3-15(9-12)18-14;/h11-15,18H,2-10H2,1H3,(H,17,19);1H
InChIKeyXBVAXWTVRMOUTI-UHFFFAOYSA-N
MW316.87 g/mol
LogP2.26
Rot. Bonds4

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(oxan-4-yl)ethyl]acetamide;hydrochloride

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(oxan-4-yl)ethyl]acetamide;hydrochloride (PubChem CID 119801753) has the molecular formula C16H29ClN2O2 and a molecular weight of 316.87 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(oxan-4-yl)ethyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(oxan-4-yl)ethyl]acetamide;hydrochloride
PubChem CID119801753
Molecular FormulaC16H29ClN2O2
Molecular Weight316.87 g/mol
Exact Mass316.19
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(oxan-4-yl)ethyl]acetamide;hydrochloride
SMILESCC(NC(=O)CC1CC2CCC(C1)N2)C1CCOCC1.Cl
InChIInChI=1S/C16H28N2O2.ClH/c1-11(13-4-6-20-7-5-13)17-16(19)10-12-8-14-2-3-15(9-12)18-14;/h11-15,18H,2-10H2,1H3,(H,17,19);1H
InChIKeyXBVAXWTVRMOUTI-UHFFFAOYSA-N
XLogP2.26
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.87
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(oxan-4-yl)ethyl]acetamide;hydrochloride with MolForge

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(5-methylhexan-2-yl)acetamide;hydrochloride
CID 119674904
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-butan-2-ylacetamide
CID 79608095
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(oxolan-3-yloxy)propan-2-yl]acetamide
CID 119812767
2-(methylamino)-N-[1-(oxan-4-yl)ethyl]acetamide;hydrochloride
CID 119801745
2-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-N-[(2S)-1-methylsulfanylpropan-2-yl]acetamide
CID 124592903
4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]pentanoic acid
CID 79615753
N-[1-(oxan-4-yl)ethyl]butanamide
CID 103769211
2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-ethylpropanamide
CID 79607169
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-methylsulfonylpropan-2-yl)acetamide
CID 79614755
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(dimethylamino)butan-2-yl]acetamide
CID 79607442
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-methoxybutan-2-yl)acetamide
CID 79615755
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,2-diethylbutyl)acetamide;hydrochloride
CID 119822033

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(oxan-4-yl)ethyl]acetamide;hydrochloride?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(oxan-4-yl)ethyl]acetamide;hydrochloride (CID 119801753) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(oxan-4-yl)ethyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(oxan-4-yl)ethyl]acetamide;hydrochloride?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(oxan-4-yl)ethyl]acetamide;hydrochloride is CC(NC(=O)CC1CC2CCC(C1)N2)C1CCOCC1.Cl.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(oxan-4-yl)ethyl]acetamide;hydrochloride?
The InChIKey is XBVAXWTVRMOUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2.ClH/c1-11(13-4-6-20-7-5-13)17-16(19)10-12-8-14-2-3-15(9-12)18-14;/h11-15,18H,2-10H2,1H3,(H,17,19);1H.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(oxan-4-yl)ethyl]acetamide;hydrochloride?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(oxan-4-yl)ethyl]acetamide;hydrochloride has a molecular weight of 316.87 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(oxan-4-yl)ethyl]acetamide;hydrochloride is sourced from PubChem (CID 119801753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).