N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2,2,2-trifluoroethoxy)propanamide

C12H19F3N2O2 — CID 103805909

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESO=C(CCOCC(F)(F)F)NC1CC2CCC(C1)N2
InChIInChI=1S/C12H19F3N2O2/c13-12(14,15)7-19-4-3-11(18)17-10-5-8-1-2-9(6-10)16-8/h8-10,16H,1-7H2,(H,17,18)
InChIKeyBDAOWHHIGAMADQ-UHFFFAOYSA-N
MW280.29 g/mol
LogP1.35
Rot. Bonds5

About N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2,2,2-trifluoroethoxy)propanamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 103805909) has the molecular formula C12H19F3N2O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID103805909
Molecular FormulaC12H19F3N2O2
Molecular Weight280.29 g/mol
Exact Mass280.14
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESO=C(CCOCC(F)(F)F)NC1CC2CCC(C1)N2
InChIInChI=1S/C12H19F3N2O2/c13-12(14,15)7-19-4-3-11(18)17-10-5-8-1-2-9(6-10)16-8/h8-10,16H,1-7H2,(H,17,18)
InChIKeyBDAOWHHIGAMADQ-UHFFFAOYSA-N
XLogP1.35
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methoxypropanamide
CID 62589135
N-(azepan-4-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 105061008
N-[4-(ethylamino)cyclohexyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 103206325
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
CID 79615251
N-(8-azabicyclo[3.2.1]octan-3-yl)butanamide
CID 61233297
N-(2-methylpiperidin-3-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103206930
N-(8-azabicyclo[3.2.1]octan-3-yl)hex-5-enamide
CID 119459100
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[2-(trifluoromethyl)phenyl]acetamide
CID 119456983
N-(8-azabicyclo[3.2.1]octan-3-yl)-3,3-dimethylbutanamide;hydrochloride
CID 119455659
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(4-tert-butylphenoxy)butanamide
CID 119455929
N-[(3-hydroxycyclopentyl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 103280152
N'-(8-azabicyclo[3.2.1]octan-3-yl)-N-propylbutanediamide;hydrochloride
CID 119458518

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2,2,2-trifluoroethoxy)propanamide (CID 103805909) is N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2,2,2-trifluoroethoxy)propanamide is O=C(CCOCC(F)(F)F)NC1CC2CCC(C1)N2.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is BDAOWHHIGAMADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O2/c13-12(14,15)7-19-4-3-11(18)17-10-5-8-1-2-9(6-10)16-8/h8-10,16H,1-7H2,(H,17,18).
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2,2,2-trifluoroethoxy)propanamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 280.29 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 103805909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).