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

C19H29ClN2O2 — CID 119714363

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(4-propoxyphenyl)methyl]acetamide;hydrochloride
SMILESCCCOc1ccc(CNC(=O)CC2CC3CCC(C2)N3)cc1.Cl
InChIInChI=1S/C19H28N2O2.ClH/c1-2-9-23-18-7-3-14(4-8-18)13-20-19(22)12-15-10-16-5-6-17(11-15)21-16;/h3-4,7-8,15-17,21H,2,5-6,9-13H2,1H3,(H,20,22);1H
InChIKeyULBSYHAWKBETGC-UHFFFAOYSA-N
MW352.91 g/mol
LogP3.43
Rot. Bonds7

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

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(4-propoxyphenyl)methyl]acetamide;hydrochloride (PubChem CID 119714363) 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-propoxyphenyl)methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(4-propoxyphenyl)methyl]acetamide;hydrochloride
PubChem CID119714363
Molecular FormulaC19H29ClN2O2
Molecular Weight352.91 g/mol
Exact Mass352.19
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(4-propoxyphenyl)methyl]acetamide;hydrochloride
SMILESCCCOc1ccc(CNC(=O)CC2CC3CCC(C2)N3)cc1.Cl
InChIInChI=1S/C19H28N2O2.ClH/c1-2-9-23-18-7-3-14(4-8-18)13-20-19(22)12-15-10-16-5-6-17(11-15)21-16;/h3-4,7-8,15-17,21H,2,5-6,9-13H2,1H3,(H,20,22);1H
InChIKeyULBSYHAWKBETGC-UHFFFAOYSA-N
XLogP3.43
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.91
LogP ≤ 53.43
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-[(4-methoxyphenyl)methylamino]-2-oxoethyl]acetamide;hydrochloride
CID 119753125
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(4-methylphenoxy)butyl]acetamide;hydrochloride
CID 119722676
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]acetamide;hydrochloride
CID 119712202
N-[(4-acetamidophenyl)methyl]-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 119700898
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[4-(2-methoxyphenoxy)phenyl]methyl]acetamide
CID 119780926
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[4-(ethylsulfamoyl)phenyl]methyl]acetamide;hydrochloride
CID 119821871
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-(propoxymethyl)phenyl]methyl]acetamide;hydrochloride
CID 119734227
N-[4-[[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]methyl]phenyl]-2-methylpropanamide;hydrochloride
CID 119701224
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(4-propoxyphenyl)propanamide;hydrochloride
CID 119457887
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]acetamide
CID 119736772
methyl 2-[[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]methyl]-3-(4-ethoxyphenyl)propanoate
CID 119753841
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3,5-dimethoxyphenoxy)ethyl]acetamide;hydrochloride
CID 119822623

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(4-propoxyphenyl)methyl]acetamide;hydrochloride?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(4-propoxyphenyl)methyl]acetamide;hydrochloride (CID 119714363) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(4-propoxyphenyl)methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(4-propoxyphenyl)methyl]acetamide;hydrochloride?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(4-propoxyphenyl)methyl]acetamide;hydrochloride is CCCOc1ccc(CNC(=O)CC2CC3CCC(C2)N3)cc1.Cl.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(4-propoxyphenyl)methyl]acetamide;hydrochloride?
The InChIKey is ULBSYHAWKBETGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2.ClH/c1-2-9-23-18-7-3-14(4-8-18)13-20-19(22)12-15-10-16-5-6-17(11-15)21-16;/h3-4,7-8,15-17,21H,2,5-6,9-13H2,1H3,(H,20,22);1H.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(4-propoxyphenyl)methyl]acetamide;hydrochloride?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(4-propoxyphenyl)methyl]acetamide;hydrochloride has a molecular weight of 352.91 g/mol, XLogP of 3.43, 7 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-[(4-propoxyphenyl)methyl]acetamide;hydrochloride is sourced from PubChem (CID 119714363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).