2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]acetamide;dihydrochloride

C21H35Cl2N3O — CID 119831119

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]acetamide;dihydrochloride
SMILESCCc1ccc(C(CNC(=O)CC2CC3CCC(C2)N3)N(C)C)cc1.Cl.Cl
InChIInChI=1S/C21H33N3O.2ClH/c1-4-15-5-7-17(8-6-15)20(24(2)3)14-22-21(25)13-16-11-18-9-10-19(12-16)23-18;;/h5-8,16,18-20,23H,4,9-14H2,1-3H3,(H,22,25);2*1H
InChIKeySOAXYXTUVVTTIZ-UHFFFAOYSA-N
MW416.44 g/mol
LogP3.73
Rot. Bonds7

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]acetamide;dihydrochloride

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]acetamide;dihydrochloride (PubChem CID 119831119) has the molecular formula C21H35Cl2N3O and a molecular weight of 416.44 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]acetamide;dihydrochloride
PubChem CID119831119
Molecular FormulaC21H35Cl2N3O
Molecular Weight416.44 g/mol
Exact Mass415.22
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]acetamide;dihydrochloride
SMILESCCc1ccc(C(CNC(=O)CC2CC3CCC(C2)N3)N(C)C)cc1.Cl.Cl
InChIInChI=1S/C21H33N3O.2ClH/c1-4-15-5-7-17(8-6-15)20(24(2)3)14-22-21(25)13-16-11-18-9-10-19(12-16)23-18;;/h5-8,16,18-20,23H,4,9-14H2,1-3H3,(H,22,25);2*1H
InChIKeySOAXYXTUVVTTIZ-UHFFFAOYSA-N
XLogP3.73
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]acetamide;dihydrochloride 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-(diethylamino)-2-phenylethyl]acetamide
CID 119399224
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]acetamide
CID 98598979
N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]adamantane-1-carboxamide
CID 39951386
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]cyclohexanecarboxamide
CID 46529103
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-hydroxy-2-phenylethyl)acetamide
CID 79609823
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-cyclohexyl-2-(dimethylamino)ethyl]acetamide
CID 119850513
N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 34972442
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2,6-dichlorophenyl)propyl]acetamide;hydrochloride
CID 119768757
1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111504017
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-fluorophenoxy)propyl]acetamide;hydrochloride
CID 119804484
(2R)-2-amino-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]propanamide;dihydrochloride
CID 119831113
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-propan-2-ylphenyl)acetamide;hydrochloride
CID 119672808

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]acetamide;dihydrochloride?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]acetamide;dihydrochloride (CID 119831119) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]acetamide;dihydrochloride.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]acetamide;dihydrochloride?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]acetamide;dihydrochloride is CCc1ccc(C(CNC(=O)CC2CC3CCC(C2)N3)N(C)C)cc1.Cl.Cl.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]acetamide;dihydrochloride?
The InChIKey is SOAXYXTUVVTTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O.2ClH/c1-4-15-5-7-17(8-6-15)20(24(2)3)14-22-21(25)13-16-11-18-9-10-19(12-16)23-18;;/h5-8,16,18-20,23H,4,9-14H2,1-3H3,(H,22,25);2*1H.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]acetamide;dihydrochloride?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]acetamide;dihydrochloride has a molecular weight of 416.44 g/mol, XLogP of 3.73, 7 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-(dimethylamino)-2-(4-ethylphenyl)ethyl]acetamide;dihydrochloride is sourced from PubChem (CID 119831119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).