2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-methylbutyl)-1,3-dihydroisoindol-4-yl]acetamide;dihydrochloride

C22H35Cl2N3O — CID 119872418

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-methylbutyl)-1,3-dihydroisoindol-4-yl]acetamide;dihydrochloride
SMILESCC(C)CCN1Cc2cccc(NC(=O)CC3CC4CCC(C3)N4)c2C1.Cl.Cl
InChIInChI=1S/C22H33N3O.2ClH/c1-15(2)8-9-25-13-17-4-3-5-21(20(17)14-25)24-22(26)12-16-10-18-6-7-19(11-16)23-18;;/h3-5,15-16,18-19,23H,6-14H2,1-2H3,(H,24,26);2*1H
InChIKeyHXBCVFVOGLUTEV-UHFFFAOYSA-N
MW428.45 g/mol
LogP4.75
Rot. Bonds6

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-methylbutyl)-1,3-dihydroisoindol-4-yl]acetamide;dihydrochloride

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-methylbutyl)-1,3-dihydroisoindol-4-yl]acetamide;dihydrochloride (PubChem CID 119872418) has the molecular formula C22H35Cl2N3O and a molecular weight of 428.45 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-methylbutyl)-1,3-dihydroisoindol-4-yl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-methylbutyl)-1,3-dihydroisoindol-4-yl]acetamide;dihydrochloride
PubChem CID119872418
Molecular FormulaC22H35Cl2N3O
Molecular Weight428.45 g/mol
Exact Mass427.22
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-methylbutyl)-1,3-dihydroisoindol-4-yl]acetamide;dihydrochloride
SMILESCC(C)CCN1Cc2cccc(NC(=O)CC3CC4CCC(C3)N4)c2C1.Cl.Cl
InChIInChI=1S/C22H33N3O.2ClH/c1-15(2)8-9-25-13-17-4-3-5-21(20(17)14-25)24-22(26)12-16-10-18-6-7-19(11-16)23-18;;/h3-5,15-16,18-19,23H,6-14H2,1-2H3,(H,24,26);2*1H
InChIKeyHXBCVFVOGLUTEV-UHFFFAOYSA-N
XLogP4.75
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.45
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-methylbutyl)-1,3-dihydroisoindol-4-yl]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-(3-methylbutyl)-1,3-dihydroisoindol-4-yl]acetamide
CID 119872419
N-[2-(3-methylbutyl)-1,3-dihydroisoindol-4-yl]-2-pyrrolidin-2-ylacetamide
CID 119872427
N-[2-(3-methylbutyl)-1,3-dihydroisoindol-4-yl]piperidine-4-carboxamide
CID 119872395
3-(2-aminophenyl)-N-[2-(3-methylbutyl)-1,3-dihydroisoindol-4-yl]propanamide;dihydrochloride
CID 120612872
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-(2-methylphenyl)acetamide
CID 79607846
4-(aminomethyl)-N-[2-(3-methylbutyl)-1,3-dihydroisoindol-4-yl]benzamide
CID 119872415
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-ethylpiperazin-1-yl)phenyl]acetamide
CID 119901048
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-piperidin-1-ylphenyl)acetamide;dihydrochloride
CID 119828036
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(azepan-1-yl)phenyl]acetamide;dihydrochloride
CID 119842083
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

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-methylbutyl)-1,3-dihydroisoindol-4-yl]acetamide;dihydrochloride?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-methylbutyl)-1,3-dihydroisoindol-4-yl]acetamide;dihydrochloride (CID 119872418) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-methylbutyl)-1,3-dihydroisoindol-4-yl]acetamide;dihydrochloride.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-methylbutyl)-1,3-dihydroisoindol-4-yl]acetamide;dihydrochloride?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-methylbutyl)-1,3-dihydroisoindol-4-yl]acetamide;dihydrochloride is CC(C)CCN1Cc2cccc(NC(=O)CC3CC4CCC(C3)N4)c2C1.Cl.Cl.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-methylbutyl)-1,3-dihydroisoindol-4-yl]acetamide;dihydrochloride?
The InChIKey is HXBCVFVOGLUTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O.2ClH/c1-15(2)8-9-25-13-17-4-3-5-21(20(17)14-25)24-22(26)12-16-10-18-6-7-19(11-16)23-18;;/h3-5,15-16,18-19,23H,6-14H2,1-2H3,(H,24,26);2*1H.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-methylbutyl)-1,3-dihydroisoindol-4-yl]acetamide;dihydrochloride?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-methylbutyl)-1,3-dihydroisoindol-4-yl]acetamide;dihydrochloride has a molecular weight of 428.45 g/mol, XLogP of 4.75, 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-(3-methylbutyl)-1,3-dihydroisoindol-4-yl]acetamide;dihydrochloride is sourced from PubChem (CID 119872418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).