2-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]acetamide

C20H28FN3O2 — CID 119680686

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]acetamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)C(=O)CC1CC2CCC(C1)N2
InChIInChI=1S/C20H28FN3O2/c1-2-24(13-19(25)22-12-14-3-5-16(21)6-4-14)20(26)11-15-9-17-7-8-18(10-15)23-17/h3-6,15,17-18,23H,2,7-13H2,1H3,(H,22,25)
InChIKeyUXEXKSDMROCVED-UHFFFAOYSA-N
MW361.46 g/mol
LogP2.21
Rot. Bonds7

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]acetamide

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]acetamide (PubChem CID 119680686) has the molecular formula C20H28FN3O2 and a molecular weight of 361.46 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]acetamide
PubChem CID119680686
Molecular FormulaC20H28FN3O2
Molecular Weight361.46 g/mol
Exact Mass361.22
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]acetamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)C(=O)CC1CC2CCC(C1)N2
InChIInChI=1S/C20H28FN3O2/c1-2-24(13-19(25)22-12-14-3-5-16(21)6-4-14)20(26)11-15-9-17-7-8-18(10-15)23-17/h3-6,15,17-18,23H,2,7-13H2,1H3,(H,22,25)
InChIKeyUXEXKSDMROCVED-UHFFFAOYSA-N
XLogP2.21
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]acetamide with MolForge

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Related Compounds

N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-pyrrolidin-2-ylacetamide
CID 119680698
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-N-(4-fluorophenyl)acetamide
CID 79611017
[2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl] adamantane-1-carboxylate
CID 7866986
2-(4-aminophenyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]acetamide
CID 119680664
2-(4-bromophenyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]acetamide
CID 27821749
N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]pyrrolidine-2-carboxamide
CID 119291035
N-[(4-acetamidophenyl)methyl]-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 119700898
2-[ethyl-[2-(N-ethylanilino)acetyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 55437782
2-(3,4-dimethylphenyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]acetamide
CID 8960641
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-fluorophenyl)-N-methylacetamide
CID 79615312
2-(2-chlorophenyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]acetamide
CID 26266085
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(4-propoxyphenyl)methyl]acetamide;hydrochloride
CID 119714363

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]acetamide?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]acetamide (CID 119680686) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]acetamide?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]acetamide is CCN(CC(=O)NCc1ccc(F)cc1)C(=O)CC1CC2CCC(C1)N2.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]acetamide?
The InChIKey is UXEXKSDMROCVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FN3O2/c1-2-24(13-19(25)22-12-14-3-5-16(21)6-4-14)20(26)11-15-9-17-7-8-18(10-15)23-17/h3-6,15,17-18,23H,2,7-13H2,1H3,(H,22,25).
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]acetamide?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]acetamide has a molecular weight of 361.46 g/mol, XLogP of 2.21, 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-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]acetamide is sourced from PubChem (CID 119680686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).