2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(1-phenylethoxy)phenyl]acetamide;hydrochloride

C23H29ClN2O2 — CID 119792508

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(1-phenylethoxy)phenyl]acetamide;hydrochloride
SMILESCC(Oc1ccccc1NC(=O)CC1CC2CCC(C1)N2)c1ccccc1.Cl
InChIInChI=1S/C23H28N2O2.ClH/c1-16(18-7-3-2-4-8-18)27-22-10-6-5-9-21(22)25-23(26)15-17-13-19-11-12-20(14-17)24-19;/h2-10,16-17,19-20,24H,11-15H2,1H3,(H,25,26);1H
InChIKeyPUAFBXVAZKVWEN-UHFFFAOYSA-N
MW400.95 g/mol
LogP5.11
Rot. Bonds6

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(1-phenylethoxy)phenyl]acetamide;hydrochloride

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(1-phenylethoxy)phenyl]acetamide;hydrochloride (PubChem CID 119792508) has the molecular formula C23H29ClN2O2 and a molecular weight of 400.95 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(1-phenylethoxy)phenyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(1-phenylethoxy)phenyl]acetamide;hydrochloride
PubChem CID119792508
Molecular FormulaC23H29ClN2O2
Molecular Weight400.95 g/mol
Exact Mass400.19
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(1-phenylethoxy)phenyl]acetamide;hydrochloride
SMILESCC(Oc1ccccc1NC(=O)CC1CC2CCC(C1)N2)c1ccccc1.Cl
InChIInChI=1S/C23H28N2O2.ClH/c1-16(18-7-3-2-4-8-18)27-22-10-6-5-9-21(22)25-23(26)15-17-13-19-11-12-20(14-17)24-19;/h2-10,16-17,19-20,24H,11-15H2,1H3,(H,25,26);1H
InChIKeyPUAFBXVAZKVWEN-UHFFFAOYSA-N
XLogP5.11
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.95
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-propan-2-ylbenzamide;hydrochloride
CID 119704664
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(5-fluoro-2-propan-2-yloxyphenyl)acetamide;hydrochloride
CID 119770221
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-methylphenyl)acetamide
CID 79607846
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1,1-diphenylpropan-2-yl)acetamide;hydrochloride
CID 119716625
2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]benzamide;hydrochloride
CID 119673021
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-iodophenyl)acetamide
CID 79606850
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-methyl-3-(phenoxymethyl)phenyl]acetamide;hydrochloride
CID 119810549
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(1-methoxyethyl)phenyl]acetamide
CID 119768546
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,2-dimethyl-1-phenylpropyl)acetamide;hydrochloride
CID 119724650
4-(methylamino)-N-[2-(1-phenylethoxy)phenyl]butanamide;hydrochloride
CID 119792496
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(oxan-2-ylmethoxy)phenyl]acetamide;hydrochloride
CID 119747615
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-hydroxy-4-phenylbutan-2-yl)acetamide;hydrochloride
CID 119808311

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(1-phenylethoxy)phenyl]acetamide;hydrochloride?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(1-phenylethoxy)phenyl]acetamide;hydrochloride (CID 119792508) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(1-phenylethoxy)phenyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(1-phenylethoxy)phenyl]acetamide;hydrochloride?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(1-phenylethoxy)phenyl]acetamide;hydrochloride is CC(Oc1ccccc1NC(=O)CC1CC2CCC(C1)N2)c1ccccc1.Cl.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(1-phenylethoxy)phenyl]acetamide;hydrochloride?
The InChIKey is PUAFBXVAZKVWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2.ClH/c1-16(18-7-3-2-4-8-18)27-22-10-6-5-9-21(22)25-23(26)15-17-13-19-11-12-20(14-17)24-19;/h2-10,16-17,19-20,24H,11-15H2,1H3,(H,25,26);1H.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(1-phenylethoxy)phenyl]acetamide;hydrochloride?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(1-phenylethoxy)phenyl]acetamide;hydrochloride has a molecular weight of 400.95 g/mol, XLogP of 5.11, 6 rotatable bonds, 2 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-(1-phenylethoxy)phenyl]acetamide;hydrochloride is sourced from PubChem (CID 119792508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).