2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-hydroxy-4-phenylbutan-2-yl)acetamide;hydrochloride

C19H29ClN2O2 — CID 119808311

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-hydroxy-4-phenylbutan-2-yl)acetamide;hydrochloride
SMILESCC(CC(O)c1ccccc1)NC(=O)CC1CC2CCC(C1)N2.Cl
InChIInChI=1S/C19H28N2O2.ClH/c1-13(9-18(22)15-5-3-2-4-6-15)20-19(23)12-14-10-16-7-8-17(11-14)21-16;/h2-6,13-14,16-18,21-22H,7-12H2,1H3,(H,20,23);1H
InChIKeyCQUQNTZWLFQJKT-UHFFFAOYSA-N
MW352.91 g/mol
LogP2.96
Rot. Bonds6

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-hydroxy-4-phenylbutan-2-yl)acetamide;hydrochloride

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-hydroxy-4-phenylbutan-2-yl)acetamide;hydrochloride (PubChem CID 119808311) has the molecular formula C19H29ClN2O2 and a molecular weight of 352.91 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-hydroxy-4-phenylbutan-2-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-hydroxy-4-phenylbutan-2-yl)acetamide;hydrochloride
PubChem CID119808311
Molecular FormulaC19H29ClN2O2
Molecular Weight352.91 g/mol
Exact Mass352.19
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-hydroxy-4-phenylbutan-2-yl)acetamide;hydrochloride
SMILESCC(CC(O)c1ccccc1)NC(=O)CC1CC2CCC(C1)N2.Cl
InChIInChI=1S/C19H28N2O2.ClH/c1-13(9-18(22)15-5-3-2-4-6-15)20-19(23)12-14-10-16-7-8-17(11-14)21-16;/h2-6,13-14,16-18,21-22H,7-12H2,1H3,(H,20,23);1H
InChIKeyCQUQNTZWLFQJKT-UHFFFAOYSA-N
XLogP2.96
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.91
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1,1-diphenylpropan-2-yl)acetamide;hydrochloride
CID 119716625
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-methyl-4-phenylpentan-2-yl)acetamide;hydrochloride
CID 119755784
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,2-dimethyl-1-phenylpropyl)acetamide;hydrochloride
CID 119724650
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-hydroxy-2-phenylethyl)acetamide
CID 79609823
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 107863325
4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]pentanoic acid
CID 79615753
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-phenylbutan-2-yl)acetamide;hydrochloride
CID 119766335
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-naphthalen-2-ylethyl)acetamide;hydrochloride
CID 119685958
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(1,3-benzothiazol-2-yl)propan-2-yl]acetamide;dihydrochloride
CID 119900501
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[bis(3-methylphenyl)methyl]acetamide;hydrochloride
CID 119810421

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-hydroxy-4-phenylbutan-2-yl)acetamide;hydrochloride?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-hydroxy-4-phenylbutan-2-yl)acetamide;hydrochloride (CID 119808311) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-hydroxy-4-phenylbutan-2-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-hydroxy-4-phenylbutan-2-yl)acetamide;hydrochloride?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-hydroxy-4-phenylbutan-2-yl)acetamide;hydrochloride is CC(CC(O)c1ccccc1)NC(=O)CC1CC2CCC(C1)N2.Cl.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-hydroxy-4-phenylbutan-2-yl)acetamide;hydrochloride?
The InChIKey is CQUQNTZWLFQJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2.ClH/c1-13(9-18(22)15-5-3-2-4-6-15)20-19(23)12-14-10-16-7-8-17(11-14)21-16;/h2-6,13-14,16-18,21-22H,7-12H2,1H3,(H,20,23);1H.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-hydroxy-4-phenylbutan-2-yl)acetamide;hydrochloride?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-hydroxy-4-phenylbutan-2-yl)acetamide;hydrochloride has a molecular weight of 352.91 g/mol, XLogP of 2.96, 6 rotatable bonds, 3 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-(4-hydroxy-4-phenylbutan-2-yl)acetamide;hydrochloride is sourced from PubChem (CID 119808311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).