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

C22H27ClN2O2 — CID 119756338

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-phenoxyphenyl)methyl]acetamide;hydrochloride
SMILESCl.O=C(CC1CC2CCC(C1)N2)NCc1ccccc1Oc1ccccc1
InChIInChI=1S/C22H26N2O2.ClH/c25-22(14-16-12-18-10-11-19(13-16)24-18)23-15-17-6-4-5-9-21(17)26-20-7-2-1-3-8-20;/h1-9,16,18-19,24H,10-15H2,(H,23,25);1H
InChIKeyHLTAJKWEGOSCDL-UHFFFAOYSA-N
MW386.92 g/mol
LogP4.44
Rot. Bonds6

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

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-phenoxyphenyl)methyl]acetamide;hydrochloride (PubChem CID 119756338) has the molecular formula C22H27ClN2O2 and a molecular weight of 386.92 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-phenoxyphenyl)methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-phenoxyphenyl)methyl]acetamide;hydrochloride
PubChem CID119756338
Molecular FormulaC22H27ClN2O2
Molecular Weight386.92 g/mol
Exact Mass386.18
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-phenoxyphenyl)methyl]acetamide;hydrochloride
SMILESCl.O=C(CC1CC2CCC(C1)N2)NCc1ccccc1Oc1ccccc1
InChIInChI=1S/C22H26N2O2.ClH/c25-22(14-16-12-18-10-11-19(13-16)24-18)23-15-17-6-4-5-9-21(17)26-20-7-2-1-3-8-20;/h1-9,16,18-19,24H,10-15H2,(H,23,25);1H
InChIKeyHLTAJKWEGOSCDL-UHFFFAOYSA-N
XLogP4.44
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.92
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-fluorophenyl)methyl]acetamide;hydrochloride
CID 119679698
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide;hydrochloride
CID 119718080
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[4-(2-methoxyphenoxy)phenyl]methyl]acetamide
CID 119780926
2-(cyclopropylmethylamino)-N-[(2-phenoxyphenyl)methyl]acetamide
CID 119756337
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-(ethoxymethyl)phenyl]methyl]acetamide;hydrochloride
CID 119718343
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-(propoxymethyl)phenyl]methyl]acetamide;hydrochloride
CID 119734227
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-nitrophenyl)methyl]acetamide
CID 119706783
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]acetamide;hydrochloride
CID 119739831
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]acetamide;dihydrochloride
CID 119861643
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-phenoxypropyl)acetamide
CID 119734644
2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-N-[2-(2-ethoxyphenyl)ethyl]acetamide
CID 124591619
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1,3-benzodioxol-4-ylmethyl)acetamide
CID 119740842

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-phenoxyphenyl)methyl]acetamide;hydrochloride?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-phenoxyphenyl)methyl]acetamide;hydrochloride (CID 119756338) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-phenoxyphenyl)methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-phenoxyphenyl)methyl]acetamide;hydrochloride?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-phenoxyphenyl)methyl]acetamide;hydrochloride is Cl.O=C(CC1CC2CCC(C1)N2)NCc1ccccc1Oc1ccccc1.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-phenoxyphenyl)methyl]acetamide;hydrochloride?
The InChIKey is HLTAJKWEGOSCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2.ClH/c25-22(14-16-12-18-10-11-19(13-16)24-18)23-15-17-6-4-5-9-21(17)26-20-7-2-1-3-8-20;/h1-9,16,18-19,24H,10-15H2,(H,23,25);1H.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-phenoxyphenyl)methyl]acetamide;hydrochloride?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-phenoxyphenyl)methyl]acetamide;hydrochloride has a molecular weight of 386.92 g/mol, XLogP of 4.44, 6 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-[(2-phenoxyphenyl)methyl]acetamide;hydrochloride is sourced from PubChem (CID 119756338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).