2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]acetamide;dihydrochloride

C24H39Cl2N3O — CID 119861643

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]acetamide;dihydrochloride
SMILESCN(Cc1ccccc1CNC(=O)CC1CC2CCC(C1)N2)C1CCCCC1.Cl.Cl
InChIInChI=1S/C24H37N3O.2ClH/c1-27(23-9-3-2-4-10-23)17-20-8-6-5-7-19(20)16-25-24(28)15-18-13-21-11-12-22(14-18)26-21;;/h5-8,18,21-23,26H,2-4,9-17H2,1H3,(H,25,28);2*1H
InChIKeyBPUFRINZADCIAP-UHFFFAOYSA-N
MW456.50 g/mol
LogP4.83
Rot. Bonds7

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]acetamide;dihydrochloride

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]acetamide;dihydrochloride (PubChem CID 119861643) has the molecular formula C24H39Cl2N3O and a molecular weight of 456.50 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]acetamide;dihydrochloride
PubChem CID119861643
Molecular FormulaC24H39Cl2N3O
Molecular Weight456.50 g/mol
Exact Mass455.25
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]acetamide;dihydrochloride
SMILESCN(Cc1ccccc1CNC(=O)CC1CC2CCC(C1)N2)C1CCCCC1.Cl.Cl
InChIInChI=1S/C24H37N3O.2ClH/c1-27(23-9-3-2-4-10-23)17-20-8-6-5-7-19(20)16-25-24(28)15-18-13-21-11-12-22(14-18)26-21;;/h5-8,18,21-23,26H,2-4,9-17H2,1H3,(H,25,28);2*1H
InChIKeyBPUFRINZADCIAP-UHFFFAOYSA-N
XLogP4.83
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.50
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]acetamide;dihydrochloride with MolForge

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-fluorophenyl)methyl]acetamide;hydrochloride
CID 119679698
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-(propoxymethyl)phenyl]methyl]acetamide;hydrochloride
CID 119734227
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide;hydrochloride
CID 119718080
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]acetamide
CID 119850358
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1,3-benzodioxol-4-ylmethyl)acetamide
CID 119740842
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-(dimethylamino)quinolin-4-yl]methyl]acetamide;dihydrochloride
CID 119896545
3-amino-N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]cyclohexane-1-carboxamide
CID 119861630
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-phenoxyphenyl)methyl]acetamide;hydrochloride
CID 119756338
3-(2-aminophenyl)-N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]propanamide
CID 120612656
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-nitrophenyl)methyl]acetamide
CID 119706783
2-(azetidin-3-yl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]acetamide
CID 64609566

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]acetamide;dihydrochloride?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]acetamide;dihydrochloride (CID 119861643) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]acetamide;dihydrochloride.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]acetamide;dihydrochloride?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]acetamide;dihydrochloride is CN(Cc1ccccc1CNC(=O)CC1CC2CCC(C1)N2)C1CCCCC1.Cl.Cl.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]acetamide;dihydrochloride?
The InChIKey is BPUFRINZADCIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O.2ClH/c1-27(23-9-3-2-4-10-23)17-20-8-6-5-7-19(20)16-25-24(28)15-18-13-21-11-12-22(14-18)26-21;;/h5-8,18,21-23,26H,2-4,9-17H2,1H3,(H,25,28);2*1H.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]acetamide;dihydrochloride?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]acetamide;dihydrochloride has a molecular weight of 456.50 g/mol, XLogP of 4.83, 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-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]acetamide;dihydrochloride is sourced from PubChem (CID 119861643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).