2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[3-[[butyl(ethyl)amino]methyl]phenyl]methyl]acetamide

C23H37N3O — CID 119898247

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[3-[[butyl(ethyl)amino]methyl]phenyl]methyl]acetamide
SMILESCCCCN(CC)Cc1cccc(CNC(=O)CC2CC3CCC(C2)N3)c1
InChIInChI=1S/C23H37N3O/c1-3-5-11-26(4-2)17-19-8-6-7-18(12-19)16-24-23(27)15-20-13-21-9-10-22(14-20)25-21/h6-8,12,20-22,25H,3-5,9-11,13-17H2,1-2H3,(H,24,27)
InChIKeyGIPWWGIFQBBLGQ-UHFFFAOYSA-N
MW371.57 g/mol
LogP3.85
Rot. Bonds10

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[3-[[butyl(ethyl)amino]methyl]phenyl]methyl]acetamide

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[3-[[butyl(ethyl)amino]methyl]phenyl]methyl]acetamide (PubChem CID 119898247) has the molecular formula C23H37N3O and a molecular weight of 371.57 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[3-[[butyl(ethyl)amino]methyl]phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[3-[[butyl(ethyl)amino]methyl]phenyl]methyl]acetamide
PubChem CID119898247
Molecular FormulaC23H37N3O
Molecular Weight371.57 g/mol
Exact Mass371.29
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[3-[[butyl(ethyl)amino]methyl]phenyl]methyl]acetamide
SMILESCCCCN(CC)Cc1cccc(CNC(=O)CC2CC3CCC(C2)N3)c1
InChIInChI=1S/C23H37N3O/c1-3-5-11-26(4-2)17-19-8-6-7-18(12-19)16-24-23(27)15-20-13-21-9-10-22(14-20)25-21/h6-8,12,20-22,25H,3-5,9-11,13-17H2,1-2H3,(H,24,27)
InChIKeyGIPWWGIFQBBLGQ-UHFFFAOYSA-N
XLogP3.85
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.57
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[3-[(dimethylamino)methyl]phenyl]methyl]acetamide
CID 119842534
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 119744704
1-amino-N-[[3-[[butyl(ethyl)amino]methyl]phenyl]methyl]cyclopentane-1-carboxamide
CID 119898241
3-[[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]methyl]-N-butan-2-ylbenzamide
CID 119719747
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[3-(2-methylpropoxy)phenyl]methyl]acetamide
CID 119751157
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(ethylaminomethyl)phenyl]acetamide
CID 122080255
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)acetamide
CID 119684803
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[ethyl(propyl)amino]ethyl]acetamide
CID 103814955
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(dipropylamino)propyl]acetamide;dihydrochloride
CID 119861221
N-[[3-[[ethyl(propyl)amino]methyl]phenyl]methyl]acetamide
CID 143915548
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 79607003
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]acetamide;dihydrochloride
CID 119864272

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[3-[[butyl(ethyl)amino]methyl]phenyl]methyl]acetamide?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[3-[[butyl(ethyl)amino]methyl]phenyl]methyl]acetamide (CID 119898247) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[3-[[butyl(ethyl)amino]methyl]phenyl]methyl]acetamide.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[3-[[butyl(ethyl)amino]methyl]phenyl]methyl]acetamide?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[3-[[butyl(ethyl)amino]methyl]phenyl]methyl]acetamide is CCCCN(CC)Cc1cccc(CNC(=O)CC2CC3CCC(C2)N3)c1.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[3-[[butyl(ethyl)amino]methyl]phenyl]methyl]acetamide?
The InChIKey is GIPWWGIFQBBLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N3O/c1-3-5-11-26(4-2)17-19-8-6-7-18(12-19)16-24-23(27)15-20-13-21-9-10-22(14-20)25-21/h6-8,12,20-22,25H,3-5,9-11,13-17H2,1-2H3,(H,24,27).
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[3-[[butyl(ethyl)amino]methyl]phenyl]methyl]acetamide?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[3-[[butyl(ethyl)amino]methyl]phenyl]methyl]acetamide has a molecular weight of 371.57 g/mol, XLogP of 3.85, 10 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-[[3-[[butyl(ethyl)amino]methyl]phenyl]methyl]acetamide is sourced from PubChem (CID 119898247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).