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

C15H21FN2O3 — CID 66248870

IUPAC4-amino-N-[2-(4-fluorophenoxy)ethyl]-N,3-dimethyloxolane-3-carboxamide
SMILESCN(CCOc1ccc(F)cc1)C(=O)C1(C)COCC1N
InChIInChI=1S/C15H21FN2O3/c1-15(10-20-9-13(15)17)14(19)18(2)7-8-21-12-5-3-11(16)4-6-12/h3-6,13H,7-10,17H2,1-2H3
InChIKeyPKTVICPCCFOGAI-UHFFFAOYSA-N
MW296.34 g/mol
LogP1.03
Rot. Bonds5

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

4-amino-N-[2-(4-fluorophenoxy)ethyl]-N,3-dimethyloxolane-3-carboxamide (PubChem CID 66248870) has the molecular formula C15H21FN2O3 and a molecular weight of 296.34 g/mol. Its IUPAC name is 4-amino-N-[2-(4-fluorophenoxy)ethyl]-N,3-dimethyloxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(4-fluorophenoxy)ethyl]-N,3-dimethyloxolane-3-carboxamide
PubChem CID66248870
Molecular FormulaC15H21FN2O3
Molecular Weight296.34 g/mol
Exact Mass296.15
IUPAC Name4-amino-N-[2-(4-fluorophenoxy)ethyl]-N,3-dimethyloxolane-3-carboxamide
SMILESCN(CCOc1ccc(F)cc1)C(=O)C1(C)COCC1N
InChIInChI=1S/C15H21FN2O3/c1-15(10-20-9-13(15)17)14(19)18(2)7-8-21-12-5-3-11(16)4-6-12/h3-6,13H,7-10,17H2,1-2H3
InChIKeyPKTVICPCCFOGAI-UHFFFAOYSA-N
XLogP1.03
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[2-(3-fluorophenoxy)ethyl]-N,3-dimethyloxolane-3-carboxamide
CID 66249079
1-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylcyclopropane-1-carboxamide
CID 65464033
4-(aminomethyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methyloxane-4-carboxamide
CID 120920103
4-amino-N,3-dimethyl-N-(3-phenylpropyl)oxolane-3-carboxamide
CID 66249430
4-amino-N,3-dimethyl-N-[(4-methylsulfanylphenyl)methyl]oxolane-3-carboxamide
CID 66249851
(5R)-N-[2-(4-fluorophenoxy)ethyl]-3-(2-fluorophenyl)-N,5-dimethyl-4H-1,2-oxazole-5-carboxamide
CID 129385931
(2R)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide
CID 54995498
4-amino-N-(4-ethoxyphenyl)-3-methyloxolane-3-carboxamide
CID 66248425
9-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120984064
2-(aminomethyl)-2-ethyl-N-[2-(4-fluorophenoxy)ethyl]-N-methylbutanamide
CID 115432041
2-(2-aminoethoxy)-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide
CID 79473071
2-(azetidin-3-yl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide
CID 116676225

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(4-fluorophenoxy)ethyl]-N,3-dimethyloxolane-3-carboxamide?
The IUPAC name of 4-amino-N-[2-(4-fluorophenoxy)ethyl]-N,3-dimethyloxolane-3-carboxamide (CID 66248870) is 4-amino-N-[2-(4-fluorophenoxy)ethyl]-N,3-dimethyloxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(4-fluorophenoxy)ethyl]-N,3-dimethyloxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-[2-(4-fluorophenoxy)ethyl]-N,3-dimethyloxolane-3-carboxamide is CN(CCOc1ccc(F)cc1)C(=O)C1(C)COCC1N.
What is the InChIKey of 4-amino-N-[2-(4-fluorophenoxy)ethyl]-N,3-dimethyloxolane-3-carboxamide?
The InChIKey is PKTVICPCCFOGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3/c1-15(10-20-9-13(15)17)14(19)18(2)7-8-21-12-5-3-11(16)4-6-12/h3-6,13H,7-10,17H2,1-2H3.
What are the key properties of 4-amino-N-[2-(4-fluorophenoxy)ethyl]-N,3-dimethyloxolane-3-carboxamide?
4-amino-N-[2-(4-fluorophenoxy)ethyl]-N,3-dimethyloxolane-3-carboxamide has a molecular weight of 296.34 g/mol, XLogP of 1.03, 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-(4-fluorophenoxy)ethyl]-N,3-dimethyloxolane-3-carboxamide is sourced from PubChem (CID 66248870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).