2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]acetamide;hydrochloride

C19H28ClN3O2 — CID 119759800

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]acetamide;hydrochloride
SMILESCl.O=C(CNC(=O)CC1CC2CCC(C1)N2)NCCc1ccccc1
InChIInChI=1S/C19H27N3O2.ClH/c23-18(12-15-10-16-6-7-17(11-15)22-16)21-13-19(24)20-9-8-14-4-2-1-3-5-14;/h1-5,15-17,22H,6-13H2,(H,20,24)(H,21,23);1H
InChIKeyYSLXBAFZORWDDQ-UHFFFAOYSA-N
MW365.91 g/mol
LogP1.80
Rot. Bonds7

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]acetamide;hydrochloride

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]acetamide;hydrochloride (PubChem CID 119759800) has the molecular formula C19H28ClN3O2 and a molecular weight of 365.91 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]acetamide;hydrochloride
PubChem CID119759800
Molecular FormulaC19H28ClN3O2
Molecular Weight365.91 g/mol
Exact Mass365.19
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]acetamide;hydrochloride
SMILESCl.O=C(CNC(=O)CC1CC2CCC(C1)N2)NCCc1ccccc1
InChIInChI=1S/C19H27N3O2.ClH/c23-18(12-15-10-16-6-7-17(11-15)22-16)21-13-19(24)20-9-8-14-4-2-1-3-5-14;/h1-5,15-17,22H,6-13H2,(H,20,24)(H,21,23);1H
InChIKeyYSLXBAFZORWDDQ-UHFFFAOYSA-N
XLogP1.80
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.91
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]acetamide;hydrochloride with MolForge

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-methylphenyl)ethyl]acetamide
CID 79611025
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-pyridin-2-ylethyl)acetamide
CID 79608018
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-thiophen-2-ylethyl)acetamide
CID 79607241
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]acetamide;hydrochloride
CID 119684592
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]acetamide;hydrochloride
CID 119767800
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]acetamide;dihydrochloride
CID 119898680
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-hydroxy-2-phenylethyl)acetamide
CID 79609823
N-[2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]ethyl]-2-chlorobenzamide;hydrochloride
CID 119703573
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,2-dimethyl-3-phenylpropyl)acetamide
CID 119794353
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide;hydrochloride
CID 119718080
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-[3-(benzenesulfonyl)propyl]acetamide
CID 119755174

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]acetamide;hydrochloride?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]acetamide;hydrochloride (CID 119759800) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]acetamide;hydrochloride?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]acetamide;hydrochloride is Cl.O=C(CNC(=O)CC1CC2CCC(C1)N2)NCCc1ccccc1.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]acetamide;hydrochloride?
The InChIKey is YSLXBAFZORWDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2.ClH/c23-18(12-15-10-16-6-7-17(11-15)22-16)21-13-19(24)20-9-8-14-4-2-1-3-5-14;/h1-5,15-17,22H,6-13H2,(H,20,24)(H,21,23);1H.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]acetamide;hydrochloride?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]acetamide;hydrochloride has a molecular weight of 365.91 g/mol, XLogP of 1.80, 7 rotatable bonds, 3 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-[2-oxo-2-(2-phenylethylamino)ethyl]acetamide;hydrochloride is sourced from PubChem (CID 119759800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).