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

C16H23FN2O3 — CID 136560972

IUPAC4-amino-N-[2-(2-fluorophenoxy)ethyl]-N,2-dimethyloxane-2-carboxamide
SMILESCN(CCOc1ccccc1F)C(=O)C1(C)CC(N)CCO1
InChIInChI=1S/C16H23FN2O3/c1-16(11-12(18)7-9-22-16)15(20)19(2)8-10-21-14-6-4-3-5-13(14)17/h3-6,12H,7-11,18H2,1-2H3
InChIKeyBBDMWYLSGSMGIQ-UHFFFAOYSA-N
MW310.37 g/mol
LogP1.56
Rot. Bonds5

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

4-amino-N-[2-(2-fluorophenoxy)ethyl]-N,2-dimethyloxane-2-carboxamide (PubChem CID 136560972) has the molecular formula C16H23FN2O3 and a molecular weight of 310.37 g/mol. Its IUPAC name is 4-amino-N-[2-(2-fluorophenoxy)ethyl]-N,2-dimethyloxane-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(2-fluorophenoxy)ethyl]-N,2-dimethyloxane-2-carboxamide
PubChem CID136560972
Molecular FormulaC16H23FN2O3
Molecular Weight310.37 g/mol
Exact Mass310.17
IUPAC Name4-amino-N-[2-(2-fluorophenoxy)ethyl]-N,2-dimethyloxane-2-carboxamide
SMILESCN(CCOc1ccccc1F)C(=O)C1(C)CC(N)CCO1
InChIInChI=1S/C16H23FN2O3/c1-16(11-12(18)7-9-22-16)15(20)19(2)8-10-21-14-6-4-3-5-13(14)17/h3-6,12H,7-11,18H2,1-2H3
InChIKeyBBDMWYLSGSMGIQ-UHFFFAOYSA-N
XLogP1.56
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylcyclopentane-1-carboxamide
CID 60938352
4-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methyloxolane-3-carboxamide
CID 66240651
3-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide
CID 119695560
(3S)-3-fluoro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpyrrolidine-3-carboxamide
CID 125146122
4-[2-(2-fluorophenoxy)ethyl-methylamino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992870
(2S)-2-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylbutanamide;hydrochloride
CID 119274507
1-[2-[2-(2-fluorophenoxy)ethyl-methylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 56796659
2-amino-N-[2-(2-fluorophenoxy)ethyl]-N,2-dimethylbutanamide
CID 79805740
4-amino-N-[2-(2-fluorophenoxy)ethyl]-N,2-dimethylbutanamide
CID 80542832
(3R)-N-[2-(2-fluorophenoxy)ethyl]-N-methylpiperidine-3-carboxamide
CID 81129858
4-(2-fluorophenoxy)butan-2-one
CID 28948853
(2R)-2-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylpentanamide
CID 93368342

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(2-fluorophenoxy)ethyl]-N,2-dimethyloxane-2-carboxamide?
The IUPAC name of 4-amino-N-[2-(2-fluorophenoxy)ethyl]-N,2-dimethyloxane-2-carboxamide (CID 136560972) is 4-amino-N-[2-(2-fluorophenoxy)ethyl]-N,2-dimethyloxane-2-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(2-fluorophenoxy)ethyl]-N,2-dimethyloxane-2-carboxamide?
The canonical SMILES for 4-amino-N-[2-(2-fluorophenoxy)ethyl]-N,2-dimethyloxane-2-carboxamide is CN(CCOc1ccccc1F)C(=O)C1(C)CC(N)CCO1.
What is the InChIKey of 4-amino-N-[2-(2-fluorophenoxy)ethyl]-N,2-dimethyloxane-2-carboxamide?
The InChIKey is BBDMWYLSGSMGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O3/c1-16(11-12(18)7-9-22-16)15(20)19(2)8-10-21-14-6-4-3-5-13(14)17/h3-6,12H,7-11,18H2,1-2H3.
What are the key properties of 4-amino-N-[2-(2-fluorophenoxy)ethyl]-N,2-dimethyloxane-2-carboxamide?
4-amino-N-[2-(2-fluorophenoxy)ethyl]-N,2-dimethyloxane-2-carboxamide has a molecular weight of 310.37 g/mol, XLogP of 1.56, 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,2-dimethyloxane-2-carboxamide is sourced from PubChem (CID 136560972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).