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

C21H33ClN2O2 — CID 119816788

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(2-methoxyphenyl)-3-methylbutyl]acetamide;hydrochloride
SMILESCOc1ccccc1C(CC(C)C)NC(=O)CC1CC2CCC(C1)N2.Cl
InChIInChI=1S/C21H32N2O2.ClH/c1-14(2)10-19(18-6-4-5-7-20(18)25-3)23-21(24)13-15-11-16-8-9-17(12-15)22-16;/h4-7,14-17,19,22H,8-13H2,1-3H3,(H,23,24);1H
InChIKeyPLPMNVMNWXDMNO-UHFFFAOYSA-N
MW380.96 g/mol
LogP4.24
Rot. Bonds7

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

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(2-methoxyphenyl)-3-methylbutyl]acetamide;hydrochloride (PubChem CID 119816788) has the molecular formula C21H33ClN2O2 and a molecular weight of 380.96 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(2-methoxyphenyl)-3-methylbutyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(2-methoxyphenyl)-3-methylbutyl]acetamide;hydrochloride
PubChem CID119816788
Molecular FormulaC21H33ClN2O2
Molecular Weight380.96 g/mol
Exact Mass380.22
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(2-methoxyphenyl)-3-methylbutyl]acetamide;hydrochloride
SMILESCOc1ccccc1C(CC(C)C)NC(=O)CC1CC2CCC(C1)N2.Cl
InChIInChI=1S/C21H32N2O2.ClH/c1-14(2)10-19(18-6-4-5-7-20(18)25-3)23-21(24)13-15-11-16-8-9-17(12-15)22-16;/h4-7,14-17,19,22H,8-13H2,1-3H3,(H,23,24);1H
InChIKeyPLPMNVMNWXDMNO-UHFFFAOYSA-N
XLogP4.24
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.96
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[2-(difluoromethoxy)phenyl]propyl]acetamide
CID 119721294
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-hydroxy-2-(2-methoxyphenyl)ethyl]acetamide
CID 119730495
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(2-methoxyphenyl)-3-methylbutan-2-yl]acetamide
CID 119813115
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(4-chlorophenyl)-3-methylbutyl]acetamide;hydrochloride
CID 119799887
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 119691822
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[2-(methanesulfonamido)phenyl]ethyl]acetamide;hydrochloride
CID 119732344
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(2-bromophenyl)ethyl]acetamide
CID 79609850
methyl 3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-3-(3,4-dimethoxyphenyl)propanoate
CID 119695137
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-hydroxy-4-phenylbutan-2-yl)acetamide;hydrochloride
CID 119808311
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 107863325
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]acetamide
CID 119777156

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(2-methoxyphenyl)-3-methylbutyl]acetamide;hydrochloride?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(2-methoxyphenyl)-3-methylbutyl]acetamide;hydrochloride (CID 119816788) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(2-methoxyphenyl)-3-methylbutyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(2-methoxyphenyl)-3-methylbutyl]acetamide;hydrochloride?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(2-methoxyphenyl)-3-methylbutyl]acetamide;hydrochloride is COc1ccccc1C(CC(C)C)NC(=O)CC1CC2CCC(C1)N2.Cl.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(2-methoxyphenyl)-3-methylbutyl]acetamide;hydrochloride?
The InChIKey is PLPMNVMNWXDMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2.ClH/c1-14(2)10-19(18-6-4-5-7-20(18)25-3)23-21(24)13-15-11-16-8-9-17(12-15)22-16;/h4-7,14-17,19,22H,8-13H2,1-3H3,(H,23,24);1H.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(2-methoxyphenyl)-3-methylbutyl]acetamide;hydrochloride?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(2-methoxyphenyl)-3-methylbutyl]acetamide;hydrochloride has a molecular weight of 380.96 g/mol, XLogP of 4.24, 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-[1-(2-methoxyphenyl)-3-methylbutyl]acetamide;hydrochloride is sourced from PubChem (CID 119816788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).