2-(azetidin-3-yl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide

C15H21FN2O2 — CID 116676225

IUPAC2-(azetidin-3-yl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide
SMILESCC(C(=O)N(C)CCOc1ccc(F)cc1)C1CNC1
InChIInChI=1S/C15H21FN2O2/c1-11(12-9-17-10-12)15(19)18(2)7-8-20-14-5-3-13(16)4-6-14/h3-6,11-12,17H,7-10H2,1-2H3
InChIKeyJNGBEJYAVANYSJ-UHFFFAOYSA-N
MW280.34 g/mol
LogP1.52
Rot. Bonds6

About 2-(azetidin-3-yl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide

2-(azetidin-3-yl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide (PubChem CID 116676225) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide
PubChem CID116676225
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name2-(azetidin-3-yl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide
SMILESCC(C(=O)N(C)CCOc1ccc(F)cc1)C1CNC1
InChIInChI=1S/C15H21FN2O2/c1-11(12-9-17-10-12)15(19)18(2)7-8-20-14-5-3-13(16)4-6-14/h3-6,11-12,17H,7-10H2,1-2H3
InChIKeyJNGBEJYAVANYSJ-UHFFFAOYSA-N
XLogP1.52
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azetidin-3-yl)-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylpropanamide
CID 116676227
2-(azetidin-3-yl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]propanamide
CID 116676237
(2R)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide
CID 54995498
2-amino-N-[2-(4-fluorophenoxy)ethyl]-N,3-dimethylpentanamide;hydrochloride
CID 119695322
2-(azetidin-3-yl)-N-[1-(4-fluorophenyl)ethyl]-N-methylpropanamide
CID 116676248
(2S)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylhexanamide
CID 103831117
6-fluoro-N-[2-(4-fluorophenoxy)ethyl]-N-methylpyridine-2-carboxamide
CID 115497073
(2S)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methyl-3-phenylpropanamide
CID 119274352
2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methyl-4-methylsulfonylbutanamide
CID 119956183
N-[2-(4-fluorophenoxy)ethyl]-N-methylmorpholine-2-carboxamide;hydrochloride
CID 119695324
1-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylcyclopropane-1-carboxamide
CID 65464033
3-[2-(4-fluorophenoxy)ethyl-methylamino]-2-methylpropanoic acid
CID 55007792

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide?
The IUPAC name of 2-(azetidin-3-yl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide (CID 116676225) is 2-(azetidin-3-yl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide is CC(C(=O)N(C)CCOc1ccc(F)cc1)C1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide?
The InChIKey is JNGBEJYAVANYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-11(12-9-17-10-12)15(19)18(2)7-8-20-14-5-3-13(16)4-6-14/h3-6,11-12,17H,7-10H2,1-2H3.
What are the key properties of 2-(azetidin-3-yl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide?
2-(azetidin-3-yl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide has a molecular weight of 280.34 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide is sourced from PubChem (CID 116676225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).