4-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methyloxolane-3-carboxamide

C14H19FN2O3 — CID 66240651

IUPAC4-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methyloxolane-3-carboxamide
SMILESCN(CCOc1ccccc1F)C(=O)C1COCC1N
InChIInChI=1S/C14H19FN2O3/c1-17(14(18)10-8-19-9-12(10)16)6-7-20-13-5-3-2-4-11(13)15/h2-5,10,12H,6-9,16H2,1H3
InChIKeyHSPSROJVRHPQMP-UHFFFAOYSA-N
MW282.31 g/mol
LogP0.64
Rot. Bonds5

About 4-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methyloxolane-3-carboxamide

4-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methyloxolane-3-carboxamide (PubChem CID 66240651) has the molecular formula C14H19FN2O3 and a molecular weight of 282.31 g/mol. Its IUPAC name is 4-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methyloxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methyloxolane-3-carboxamide
PubChem CID66240651
Molecular FormulaC14H19FN2O3
Molecular Weight282.31 g/mol
Exact Mass282.14
IUPAC Name4-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methyloxolane-3-carboxamide
SMILESCN(CCOc1ccccc1F)C(=O)C1COCC1N
InChIInChI=1S/C14H19FN2O3/c1-17(14(18)10-8-19-9-12(10)16)6-7-20-13-5-3-2-4-11(13)15/h2-5,10,12H,6-9,16H2,1H3
InChIKeyHSPSROJVRHPQMP-UHFFFAOYSA-N
XLogP0.64
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide
CID 119695560
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(3R)-N-[2-(2-fluorophenoxy)ethyl]-N-methylpiperidine-3-carboxamide
CID 81129858
1-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylcyclopentane-1-carboxamide
CID 60938352
N-[2-(2-fluorophenoxy)ethyl]-N,3-dimethylpiperidine-2-carboxamide
CID 107067637
N-[2-(2-fluorophenoxy)ethyl]-N-methyl-6-oxopiperidine-3-carboxamide
CID 73420162
4-amino-N-[2-(2-fluorophenoxy)ethyl]-N,2-dimethyloxane-2-carboxamide
CID 136560972
(2S)-2-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylbutanamide;hydrochloride
CID 119274507
4-amino-N-[2-(2-fluorophenoxy)ethyl]-N,2-dimethylbutanamide
CID 80542832
2-amino-N-[2-(2-fluorophenoxy)ethyl]-N,2-dimethylbutanamide
CID 79805740
N-[2-(2-fluorophenoxy)ethyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 134036597
4-[2-(2-fluorophenoxy)ethyl-methylamino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992870

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methyloxolane-3-carboxamide?
The IUPAC name of 4-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methyloxolane-3-carboxamide (CID 66240651) is 4-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methyloxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methyloxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methyloxolane-3-carboxamide is CN(CCOc1ccccc1F)C(=O)C1COCC1N.
What is the InChIKey of 4-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methyloxolane-3-carboxamide?
The InChIKey is HSPSROJVRHPQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3/c1-17(14(18)10-8-19-9-12(10)16)6-7-20-13-5-3-2-4-11(13)15/h2-5,10,12H,6-9,16H2,1H3.
What are the key properties of 4-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methyloxolane-3-carboxamide?
4-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methyloxolane-3-carboxamide has a molecular weight of 282.31 g/mol, XLogP of 0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methyloxolane-3-carboxamide is sourced from PubChem (CID 66240651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).