2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-benzylacetamide

C17H25N3O — CID 61230704

IUPAC2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-benzylacetamide
SMILESCN(CC(=O)NCc1ccccc1)C1CC2CCC(C1)N2
InChIInChI=1S/C17H25N3O/c1-20(16-9-14-7-8-15(10-16)19-14)12-17(21)18-11-13-5-3-2-4-6-13/h2-6,14-16,19H,7-12H2,1H3,(H,18,21)
InChIKeyIYPXPSFZHDZZNQ-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.52
Rot. Bonds5

About 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-benzylacetamide

2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-benzylacetamide (PubChem CID 61230704) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-benzylacetamide.

Molecular Properties

Compound Name2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-benzylacetamide
PubChem CID61230704
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-benzylacetamide
SMILESCN(CC(=O)NCc1ccccc1)C1CC2CCC(C1)N2
InChIInChI=1S/C17H25N3O/c1-20(16-9-14-7-8-15(10-16)19-14)12-17(21)18-11-13-5-3-2-4-6-13/h2-6,14-16,19H,7-12H2,1H3,(H,18,21)
InChIKeyIYPXPSFZHDZZNQ-UHFFFAOYSA-N
XLogP1.52
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-[methyl-(4-oxocyclohexyl)amino]acetamide
CID 79119765
2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-(4-chlorophenyl)acetamide
CID 61231081
N'-acetyl-2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]acetohydrazide
CID 61233382
2-[azetidin-3-yl(methyl)amino]-N-[(4-methylphenyl)methyl]acetamide
CID 66185745
2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-[1-(furan-2-yl)ethyl]acetamide
CID 61231079
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylbenzamide;hydrochloride
CID 71758248
N-[2-(benzylamino)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119331213
3-[acetyl(cyclopentyl)amino]-N-benzylpropanamide
CID 113116330
N-benzyl-2-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]acetamide
CID 61488975
N-benzyl-2-(diethylamino)acetamide
CID 969777
2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 61233173
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]acetamide
CID 119680686

Frequently Asked Questions

What is the IUPAC name of 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-benzylacetamide?
The IUPAC name of 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-benzylacetamide (CID 61230704) is 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-benzylacetamide.
What is the SMILES notation for 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-benzylacetamide?
The canonical SMILES for 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-benzylacetamide is CN(CC(=O)NCc1ccccc1)C1CC2CCC(C1)N2.
What is the InChIKey of 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-benzylacetamide?
The InChIKey is IYPXPSFZHDZZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-20(16-9-14-7-8-15(10-16)19-14)12-17(21)18-11-13-5-3-2-4-6-13/h2-6,14-16,19H,7-12H2,1H3,(H,18,21).
What are the key properties of 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-benzylacetamide?
2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-benzylacetamide has a molecular weight of 287.41 g/mol, XLogP of 1.52, 5 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(methyl)amino]-N-benzylacetamide is sourced from PubChem (CID 61230704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).