2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-N-[2-(2-ethoxyphenyl)ethyl]acetamide

C19H28N2O2 — CID 124591619

IUPAC2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-N-[2-(2-ethoxyphenyl)ethyl]acetamide
SMILESCCOc1ccccc1CCNC(=O)CC1C[C@H]2CC[C@@H](C1)N2
InChIInChI=1S/C19H28N2O2/c1-2-23-18-6-4-3-5-15(18)9-10-20-19(22)13-14-11-16-7-8-17(12-14)21-16/h3-6,14,16-17,21H,2,7-13H2,1H3,(H,20,22)/t14?,16-,17+
InChIKeyUGKJRCVRZTZZEE-ZXFUBFMLSA-N
MW316.44 g/mol
LogP2.66
Rot. Bonds7

About 2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-N-[2-(2-ethoxyphenyl)ethyl]acetamide

2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-N-[2-(2-ethoxyphenyl)ethyl]acetamide (PubChem CID 124591619) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is 2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-N-[2-(2-ethoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-N-[2-(2-ethoxyphenyl)ethyl]acetamide
PubChem CID124591619
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-N-[2-(2-ethoxyphenyl)ethyl]acetamide
SMILESCCOc1ccccc1CCNC(=O)CC1C[C@H]2CC[C@@H](C1)N2
InChIInChI=1S/C19H28N2O2/c1-2-23-18-6-4-3-5-15(18)9-10-20-19(22)13-14-11-16-7-8-17(12-14)21-16/h3-6,14,16-17,21H,2,7-13H2,1H3,(H,20,22)/t14?,16-,17+
InChIKeyUGKJRCVRZTZZEE-ZXFUBFMLSA-N
XLogP2.66
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-N-[2-(2-ethoxyphenyl)ethyl]acetamide with MolForge

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2-methylphenoxy)ethyl]acetamide;hydrochloride
CID 119742935
2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-N-[3-(2-methylphenoxy)propyl]acetamide
CID 124693226
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-(ethoxymethyl)phenyl]methyl]acetamide;hydrochloride
CID 119718343
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-[2-oxo-2-(2-phenylethylamino)ethyl]acetamide;hydrochloride
CID 119759800
N-[2-(2-ethoxyphenyl)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 119772879
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-phenoxyphenyl)methyl]acetamide;hydrochloride
CID 119756338
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-(1-benzofuran-2-yl)ethyl]acetamide
CID 119799136
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(7-methyl-1H-indol-3-yl)ethyl]acetamide
CID 119781344
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-thiophen-2-ylethyl)acetamide
CID 79607241

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-N-[2-(2-ethoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-N-[2-(2-ethoxyphenyl)ethyl]acetamide (CID 124591619) is 2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-N-[2-(2-ethoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-N-[2-(2-ethoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-N-[2-(2-ethoxyphenyl)ethyl]acetamide is CCOc1ccccc1CCNC(=O)CC1C[C@H]2CC[C@@H](C1)N2.
What is the InChIKey of 2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-N-[2-(2-ethoxyphenyl)ethyl]acetamide?
The InChIKey is UGKJRCVRZTZZEE-ZXFUBFMLSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-2-23-18-6-4-3-5-15(18)9-10-20-19(22)13-14-11-16-7-8-17(12-14)21-16/h3-6,14,16-17,21H,2,7-13H2,1H3,(H,20,22)/t14?,16-,17+.
What are the key properties of 2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-N-[2-(2-ethoxyphenyl)ethyl]acetamide?
2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-N-[2-(2-ethoxyphenyl)ethyl]acetamide has a molecular weight of 316.44 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-N-[2-(2-ethoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 124591619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).