2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,5-dimethoxyphenyl)acetamide;hydrochloride

C17H25ClN2O3 — CID 119674276

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,5-dimethoxyphenyl)acetamide;hydrochloride
SMILESCOc1ccc(OC)c(NC(=O)CC2CC3CCC(C2)N3)c1.Cl
InChIInChI=1S/C17H24N2O3.ClH/c1-21-14-5-6-16(22-2)15(10-14)19-17(20)9-11-7-12-3-4-13(8-11)18-12;/h5-6,10-13,18H,3-4,7-9H2,1-2H3,(H,19,20);1H
InChIKeyKZALVVMHSARXTD-UHFFFAOYSA-N
MW340.85 g/mol
LogP2.98
Rot. Bonds5

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,5-dimethoxyphenyl)acetamide;hydrochloride

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,5-dimethoxyphenyl)acetamide;hydrochloride (PubChem CID 119674276) has the molecular formula C17H25ClN2O3 and a molecular weight of 340.85 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,5-dimethoxyphenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,5-dimethoxyphenyl)acetamide;hydrochloride
PubChem CID119674276
Molecular FormulaC17H25ClN2O3
Molecular Weight340.85 g/mol
Exact Mass340.16
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,5-dimethoxyphenyl)acetamide;hydrochloride
SMILESCOc1ccc(OC)c(NC(=O)CC2CC3CCC(C2)N3)c1.Cl
InChIInChI=1S/C17H24N2O3.ClH/c1-21-14-5-6-16(22-2)15(10-14)19-17(20)9-11-7-12-3-4-13(8-11)18-12;/h5-6,10-13,18H,3-4,7-9H2,1-2H3,(H,19,20);1H
InChIKeyKZALVVMHSARXTD-UHFFFAOYSA-N
XLogP2.98
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.85
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-acetamido-5-methoxyphenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide;hydrochloride
CID 119711092
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-(2,5-difluoro-4-methoxyphenyl)acetamide
CID 119812874
2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-(3-methoxyphenyl)benzamide
CID 119680059
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-ethoxy-3-methoxyphenyl)acetamide
CID 119688395
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,5-dimethylphenyl)acetamide;hydrochloride
CID 119669268
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(5-fluoro-2-propan-2-yloxyphenyl)acetamide;hydrochloride
CID 119770221
2-cyclopent-2-en-1-yl-N-(2,5-dimethoxyphenyl)acetamide
CID 18196579
N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774
N-(2,5-dimethoxyphenyl)-3-piperidin-4-ylpropanamide
CID 62210492
methyl 3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]thiophene-2-carboxylate
CID 79610580
N-cyclopropyl-N'-(2,5-dimethoxyphenyl)propanediamide
CID 108941097

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,5-dimethoxyphenyl)acetamide;hydrochloride?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,5-dimethoxyphenyl)acetamide;hydrochloride (CID 119674276) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,5-dimethoxyphenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,5-dimethoxyphenyl)acetamide;hydrochloride?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,5-dimethoxyphenyl)acetamide;hydrochloride is COc1ccc(OC)c(NC(=O)CC2CC3CCC(C2)N3)c1.Cl.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,5-dimethoxyphenyl)acetamide;hydrochloride?
The InChIKey is KZALVVMHSARXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3.ClH/c1-21-14-5-6-16(22-2)15(10-14)19-17(20)9-11-7-12-3-4-13(8-11)18-12;/h5-6,10-13,18H,3-4,7-9H2,1-2H3,(H,19,20);1H.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,5-dimethoxyphenyl)acetamide;hydrochloride?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,5-dimethoxyphenyl)acetamide;hydrochloride has a molecular weight of 340.85 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,5-dimethoxyphenyl)acetamide;hydrochloride is sourced from PubChem (CID 119674276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).