2-(8-azabicyclo[3.2.1]octan-3-yl)-N-phenyl-N-(2-phenylethyl)acetamide;hydrochloride

C23H29ClN2O — CID 119753319

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-phenyl-N-(2-phenylethyl)acetamide;hydrochloride
SMILESCl.O=C(CC1CC2CCC(C1)N2)N(CCc1ccccc1)c1ccccc1
InChIInChI=1S/C23H28N2O.ClH/c26-23(17-19-15-20-11-12-21(16-19)24-20)25(22-9-5-2-6-10-22)14-13-18-7-3-1-4-8-18;/h1-10,19-21,24H,11-17H2;1H
InChIKeyBKNIPCXCSJIHPX-UHFFFAOYSA-N
MW384.95 g/mol
LogP4.60
Rot. Bonds6

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-phenyl-N-(2-phenylethyl)acetamide;hydrochloride

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-phenyl-N-(2-phenylethyl)acetamide;hydrochloride (PubChem CID 119753319) has the molecular formula C23H29ClN2O and a molecular weight of 384.95 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-phenyl-N-(2-phenylethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-phenyl-N-(2-phenylethyl)acetamide;hydrochloride
PubChem CID119753319
Molecular FormulaC23H29ClN2O
Molecular Weight384.95 g/mol
Exact Mass384.20
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-phenyl-N-(2-phenylethyl)acetamide;hydrochloride
SMILESCl.O=C(CC1CC2CCC(C1)N2)N(CCc1ccccc1)c1ccccc1
InChIInChI=1S/C23H28N2O.ClH/c26-23(17-19-15-20-11-12-21(16-19)24-20)25(22-9-5-2-6-10-22)14-13-18-7-3-1-4-8-18;/h1-10,19-21,24H,11-17H2;1H
InChIKeyBKNIPCXCSJIHPX-UHFFFAOYSA-N
XLogP4.60
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.95
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-phenyl-N-(2-phenylethyl)acetamide
CID 119753320
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-N-phenylacetamide
CID 79607499
[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]methyl N-benzyl-N-phenylcarbamate
CID 69443126
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-[2-oxo-2-(2-phenylethylamino)ethyl]acetamide;hydrochloride
CID 119759800
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-N-(4-fluorophenyl)acetamide
CID 79611017
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-(2-phenoxyethyl)acetamide;hydrochloride
CID 119680859
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-(4-phenoxyphenyl)acetamide;hydrochloride
CID 119758161
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-benzylpiperazin-1-yl)ethanone;dihydrochloride
CID 119826752
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-(N-methylanilino)piperidin-1-yl]ethanone
CID 119900206
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,2-dimethylpropyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide;hydrochloride
CID 119790202
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-(2-phenylethoxy)piperidin-1-yl]ethanone;hydrochloride
CID 119741416

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-phenyl-N-(2-phenylethyl)acetamide;hydrochloride?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-phenyl-N-(2-phenylethyl)acetamide;hydrochloride (CID 119753319) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-phenyl-N-(2-phenylethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-phenyl-N-(2-phenylethyl)acetamide;hydrochloride?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-phenyl-N-(2-phenylethyl)acetamide;hydrochloride is Cl.O=C(CC1CC2CCC(C1)N2)N(CCc1ccccc1)c1ccccc1.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-phenyl-N-(2-phenylethyl)acetamide;hydrochloride?
The InChIKey is BKNIPCXCSJIHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O.ClH/c26-23(17-19-15-20-11-12-21(16-19)24-20)25(22-9-5-2-6-10-22)14-13-18-7-3-1-4-8-18;/h1-10,19-21,24H,11-17H2;1H.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-phenyl-N-(2-phenylethyl)acetamide;hydrochloride?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-phenyl-N-(2-phenylethyl)acetamide;hydrochloride has a molecular weight of 384.95 g/mol, XLogP of 4.60, 6 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-phenyl-N-(2-phenylethyl)acetamide;hydrochloride is sourced from PubChem (CID 119753319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).