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

C16H31ClN2O2 — CID 119795718

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-methoxyhexan-2-yl)acetamide;hydrochloride
SMILESCCCCC(COC)NC(=O)CC1CC2CCC(C1)N2.Cl
InChIInChI=1S/C16H30N2O2.ClH/c1-3-4-5-15(11-20-2)18-16(19)10-12-8-13-6-7-14(9-12)17-13;/h12-15,17H,3-11H2,1-2H3,(H,18,19);1H
InChIKeyDXFPYMTWKMAXSD-UHFFFAOYSA-N
MW318.89 g/mol
LogP2.65
Rot. Bonds8

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

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-methoxyhexan-2-yl)acetamide;hydrochloride (PubChem CID 119795718) has the molecular formula C16H31ClN2O2 and a molecular weight of 318.89 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-methoxyhexan-2-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-methoxyhexan-2-yl)acetamide;hydrochloride
PubChem CID119795718
Molecular FormulaC16H31ClN2O2
Molecular Weight318.89 g/mol
Exact Mass318.21
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-methoxyhexan-2-yl)acetamide;hydrochloride
SMILESCCCCC(COC)NC(=O)CC1CC2CCC(C1)N2.Cl
InChIInChI=1S/C16H30N2O2.ClH/c1-3-4-5-15(11-20-2)18-16(19)10-12-8-13-6-7-14(9-12)17-13;/h12-15,17H,3-11H2,1-2H3,(H,18,19);1H
InChIKeyDXFPYMTWKMAXSD-UHFFFAOYSA-N
XLogP2.65
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.89
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-methoxyhexan-2-yl)acetamide
CID 119795719
2-(cyclopropylmethylamino)-N-(1-methoxyhexan-2-yl)acetamide;hydrochloride
CID 119795716
(2S)-2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]hexanoic acid
CID 107146892
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-methoxybutan-2-yl)acetamide
CID 79615755
2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-5-methoxypentanoic acid
CID 81084212
(2S,4S)-N-(1-methoxyhexan-2-yl)-2-methylpiperidine-4-carboxamide
CID 120634648
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-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-N-[(2S)-1-phenoxybutan-2-yl]acetamide
CID 99849967
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(5-methoxypentyl)acetamide
CID 103810008
dimethyl 2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]butanedioate;hydrochloride
CID 119768790
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-phenylbutan-2-yl)acetamide;hydrochloride
CID 119766335

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-methoxyhexan-2-yl)acetamide;hydrochloride?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-methoxyhexan-2-yl)acetamide;hydrochloride (CID 119795718) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-methoxyhexan-2-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-methoxyhexan-2-yl)acetamide;hydrochloride?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-methoxyhexan-2-yl)acetamide;hydrochloride is CCCCC(COC)NC(=O)CC1CC2CCC(C1)N2.Cl.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-methoxyhexan-2-yl)acetamide;hydrochloride?
The InChIKey is DXFPYMTWKMAXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2.ClH/c1-3-4-5-15(11-20-2)18-16(19)10-12-8-13-6-7-14(9-12)17-13;/h12-15,17H,3-11H2,1-2H3,(H,18,19);1H.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-methoxyhexan-2-yl)acetamide;hydrochloride?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-methoxyhexan-2-yl)acetamide;hydrochloride has a molecular weight of 318.89 g/mol, XLogP of 2.65, 8 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-methoxyhexan-2-yl)acetamide;hydrochloride is sourced from PubChem (CID 119795718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).