2-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-N-phenylacetamide

C17H24N2O — CID 79607499

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-N-phenylacetamide
SMILESCCN(C(=O)CC1CC2CCC(C1)N2)c1ccccc1
InChIInChI=1S/C17H24N2O/c1-2-19(16-6-4-3-5-7-16)17(20)12-13-10-14-8-9-15(11-13)18-14/h3-7,13-15,18H,2,8-12H2,1H3
InChIKeyHTSWJDPXJDLYGC-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.96
Rot. Bonds4

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-N-phenylacetamide

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-N-phenylacetamide (PubChem CID 79607499) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-N-phenylacetamide.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-N-phenylacetamide
PubChem CID79607499
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-N-phenylacetamide
SMILESCCN(C(=O)CC1CC2CCC(C1)N2)c1ccccc1
InChIInChI=1S/C17H24N2O/c1-2-19(16-6-4-3-5-7-16)17(20)12-13-10-14-8-9-15(11-13)18-14/h3-7,13-15,18H,2,8-12H2,1H3
InChIKeyHTSWJDPXJDLYGC-UHFFFAOYSA-N
XLogP2.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-N-(4-fluorophenyl)acetamide
CID 79611017
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-phenyl-N-(2-phenylethyl)acetamide
CID 119753320
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-phenyl-N-(2-phenylethyl)acetamide;hydrochloride
CID 119753319
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3,5-dimethylphenyl)-N-ethylacetamide;hydrochloride
CID 119743570
N-ethyl-2-(1-methylpiperidin-4-yl)-N-phenylacetamide
CID 110754675
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-(N-methylanilino)piperidin-1-yl]ethanone
CID 119900206
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-(3-methylphenyl)acetamide
CID 79615458
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-(4-phenoxyphenyl)acetamide;hydrochloride
CID 119758161
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-fluorophenyl)-N-methylacetamide
CID 79615312
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-butyl-N-(1-phenylethyl)acetamide
CID 119797627
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 119797595
N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-ethylaniline
CID 79615479

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-N-phenylacetamide?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-N-phenylacetamide (CID 79607499) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-N-phenylacetamide.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-N-phenylacetamide?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-N-phenylacetamide is CCN(C(=O)CC1CC2CCC(C1)N2)c1ccccc1.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-N-phenylacetamide?
The InChIKey is HTSWJDPXJDLYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-2-19(16-6-4-3-5-7-16)17(20)12-13-10-14-8-9-15(11-13)18-14/h3-7,13-15,18H,2,8-12H2,1H3.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-N-phenylacetamide?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-N-phenylacetamide has a molecular weight of 272.39 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-N-phenylacetamide is sourced from PubChem (CID 79607499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).