2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-fluorophenoxy)ethyl]-N-(2-methoxyethyl)acetamide;hydrochloride

C20H30ClFN2O3 — CID 119779579

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-fluorophenoxy)ethyl]-N-(2-methoxyethyl)acetamide;hydrochloride
SMILESCOCCN(CCOc1ccc(F)cc1)C(=O)CC1CC2CCC(C1)N2.Cl
InChIInChI=1S/C20H29FN2O3.ClH/c1-25-10-8-23(9-11-26-19-6-2-16(21)3-7-19)20(24)14-15-12-17-4-5-18(13-15)22-17;/h2-3,6-7,15,17-18,22H,4-5,8-14H2,1H3;1H
InChIKeyRWPRFPTYRGVDFT-UHFFFAOYSA-N
MW400.92 g/mol
LogP3.02
Rot. Bonds9

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-fluorophenoxy)ethyl]-N-(2-methoxyethyl)acetamide;hydrochloride

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-fluorophenoxy)ethyl]-N-(2-methoxyethyl)acetamide;hydrochloride (PubChem CID 119779579) has the molecular formula C20H30ClFN2O3 and a molecular weight of 400.92 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-fluorophenoxy)ethyl]-N-(2-methoxyethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-fluorophenoxy)ethyl]-N-(2-methoxyethyl)acetamide;hydrochloride
PubChem CID119779579
Molecular FormulaC20H30ClFN2O3
Molecular Weight400.92 g/mol
Exact Mass400.19
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-fluorophenoxy)ethyl]-N-(2-methoxyethyl)acetamide;hydrochloride
SMILESCOCCN(CCOc1ccc(F)cc1)C(=O)CC1CC2CCC(C1)N2.Cl
InChIInChI=1S/C20H29FN2O3.ClH/c1-25-10-8-23(9-11-26-19-6-2-16(21)3-7-19)20(24)14-15-12-17-4-5-18(13-15)22-17;/h2-3,6-7,15,17-18,22H,4-5,8-14H2,1H3;1H
InChIKeyRWPRFPTYRGVDFT-UHFFFAOYSA-N
XLogP3.02
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.92
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-fluorophenoxy)ethyl]-N-(2-methoxyethyl)acetamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide;hydrochloride
CID 119695313
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-(2-phenoxyethyl)acetamide;hydrochloride
CID 119680859
N-[2-(4-fluorophenoxy)ethyl]-N-(2-methoxyethyl)-2-(methylamino)acetamide
CID 119779578
N-[2-(4-fluorophenoxy)ethyl]-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 119321222
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-fluorophenyl)-N-methylacetamide
CID 79615312
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylacetamide;hydrochloride
CID 119820820
(2S)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-(2-methoxyethyl)propanamide;hydrochloride
CID 119321215
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-[4-[2-(diethylamino)ethoxy]phenyl]acetamide
CID 119841224
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(2-methoxyethoxy)phenyl]acetamide;hydrochloride
CID 119723472
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-N-[1-(4-fluorophenyl)ethyl]acetamide;hydrochloride
CID 119737221
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(3-chlorophenoxy)propyl]-N-methylacetamide;hydrochloride
CID 119739734

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-fluorophenoxy)ethyl]-N-(2-methoxyethyl)acetamide;hydrochloride?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-fluorophenoxy)ethyl]-N-(2-methoxyethyl)acetamide;hydrochloride (CID 119779579) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-fluorophenoxy)ethyl]-N-(2-methoxyethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-fluorophenoxy)ethyl]-N-(2-methoxyethyl)acetamide;hydrochloride?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-fluorophenoxy)ethyl]-N-(2-methoxyethyl)acetamide;hydrochloride is COCCN(CCOc1ccc(F)cc1)C(=O)CC1CC2CCC(C1)N2.Cl.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-fluorophenoxy)ethyl]-N-(2-methoxyethyl)acetamide;hydrochloride?
The InChIKey is RWPRFPTYRGVDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FN2O3.ClH/c1-25-10-8-23(9-11-26-19-6-2-16(21)3-7-19)20(24)14-15-12-17-4-5-18(13-15)22-17;/h2-3,6-7,15,17-18,22H,4-5,8-14H2,1H3;1H.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-fluorophenoxy)ethyl]-N-(2-methoxyethyl)acetamide;hydrochloride?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-fluorophenoxy)ethyl]-N-(2-methoxyethyl)acetamide;hydrochloride has a molecular weight of 400.92 g/mol, XLogP of 3.02, 9 rotatable bonds, 1 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-(4-fluorophenoxy)ethyl]-N-(2-methoxyethyl)acetamide;hydrochloride is sourced from PubChem (CID 119779579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).