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

C21H33ClN2O — CID 119805915

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-[2-methyl-2-(4-methylphenyl)propyl]acetamide;hydrochloride
SMILESCc1ccc(C(C)(C)CN(C)C(=O)CC2CC3CCC(C2)N3)cc1.Cl
InChIInChI=1S/C21H32N2O.ClH/c1-15-5-7-17(8-6-15)21(2,3)14-23(4)20(24)13-16-11-18-9-10-19(12-16)22-18;/h5-8,16,18-19,22H,9-14H2,1-4H3;1H
InChIKeyWKEMXWXPJMYBHS-UHFFFAOYSA-N
MW364.96 g/mol
LogP4.07
Rot. Bonds5

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

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-[2-methyl-2-(4-methylphenyl)propyl]acetamide;hydrochloride (PubChem CID 119805915) has the molecular formula C21H33ClN2O and a molecular weight of 364.96 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-[2-methyl-2-(4-methylphenyl)propyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-[2-methyl-2-(4-methylphenyl)propyl]acetamide;hydrochloride
PubChem CID119805915
Molecular FormulaC21H33ClN2O
Molecular Weight364.96 g/mol
Exact Mass364.23
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-[2-methyl-2-(4-methylphenyl)propyl]acetamide;hydrochloride
SMILESCc1ccc(C(C)(C)CN(C)C(=O)CC2CC3CCC(C2)N3)cc1.Cl
InChIInChI=1S/C21H32N2O.ClH/c1-15-5-7-17(8-6-15)21(2,3)14-23(4)20(24)13-16-11-18-9-10-19(12-16)22-18;/h5-8,16,18-19,22H,9-14H2,1-4H3;1H
InChIKeyWKEMXWXPJMYBHS-UHFFFAOYSA-N
XLogP4.07
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.96
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-[2-methyl-2-(4-methylphenyl)propyl]acetamide;hydrochloride with MolForge

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-methylphenyl)ethyl]-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride
CID 119805827
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]acetamide
CID 119795544
2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-methylamino]acetic acid
CID 79607520
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(cyclopentylmethyl)-N-methylacetamide;hydrochloride
CID 119759233
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide;hydrochloride
CID 119727180
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide;hydrochloride
CID 119737517
3-amino-N-methyl-N-[2-methyl-2-(4-methylphenyl)propyl]butanamide;hydrochloride
CID 119805929
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3,5-dimethylphenyl)-N-methylacetamide
CID 79610812
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(4-bromophenyl)methyl]-N-methylacetamide
CID 79610089
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-(3-methylphenyl)acetamide
CID 79615458
N-methyl-N-[2-methyl-2-(4-methylphenyl)propyl]pyrrolidine-3-carboxamide
CID 119805938
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-(2-phenoxyethyl)acetamide;hydrochloride
CID 119680859

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-[2-methyl-2-(4-methylphenyl)propyl]acetamide;hydrochloride?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-[2-methyl-2-(4-methylphenyl)propyl]acetamide;hydrochloride (CID 119805915) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-[2-methyl-2-(4-methylphenyl)propyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-[2-methyl-2-(4-methylphenyl)propyl]acetamide;hydrochloride?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-[2-methyl-2-(4-methylphenyl)propyl]acetamide;hydrochloride is Cc1ccc(C(C)(C)CN(C)C(=O)CC2CC3CCC(C2)N3)cc1.Cl.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-[2-methyl-2-(4-methylphenyl)propyl]acetamide;hydrochloride?
The InChIKey is WKEMXWXPJMYBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O.ClH/c1-15-5-7-17(8-6-15)21(2,3)14-23(4)20(24)13-16-11-18-9-10-19(12-16)22-18;/h5-8,16,18-19,22H,9-14H2,1-4H3;1H.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-[2-methyl-2-(4-methylphenyl)propyl]acetamide;hydrochloride?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-[2-methyl-2-(4-methylphenyl)propyl]acetamide;hydrochloride has a molecular weight of 364.96 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-[2-methyl-2-(4-methylphenyl)propyl]acetamide;hydrochloride is sourced from PubChem (CID 119805915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).