2-amino-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-methylpropanamide

C13H19FN2O3 — CID 119304994

IUPAC2-amino-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-methylpropanamide
SMILESCC(C)(N)C(=O)NCC(O)COc1ccc(F)cc1
InChIInChI=1S/C13H19FN2O3/c1-13(2,15)12(18)16-7-10(17)8-19-11-5-3-9(14)4-6-11/h3-6,10,17H,7-8,15H2,1-2H3,(H,16,18)
InChIKeyHMBSNIBGOPGTKO-UHFFFAOYSA-N
MW270.30 g/mol
LogP0.42
Rot. Bonds6

About 2-amino-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-methylpropanamide

2-amino-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-methylpropanamide (PubChem CID 119304994) has the molecular formula C13H19FN2O3 and a molecular weight of 270.30 g/mol. Its IUPAC name is 2-amino-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-methylpropanamide
PubChem CID119304994
Molecular FormulaC13H19FN2O3
Molecular Weight270.30 g/mol
Exact Mass270.14
IUPAC Name2-amino-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-methylpropanamide
SMILESCC(C)(N)C(=O)NCC(O)COc1ccc(F)cc1
InChIInChI=1S/C13H19FN2O3/c1-13(2,15)12(18)16-7-10(17)8-19-11-5-3-9(14)4-6-11/h3-6,10,17H,7-8,15H2,1-2H3,(H,16,18)
InChIKeyHMBSNIBGOPGTKO-UHFFFAOYSA-N
XLogP0.42
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-N,2,2-trimethylpropanamide
CID 106276848
2-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-2-methylpropanamide;hydrochloride
CID 119304963
(Z)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-methylbut-2-enamide
CID 111883336
(2S)-2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-3,3-dimethylbutanamide
CID 111544161
4-amino-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]pentanamide
CID 120561361
3-[2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]ethyl]-1,1-dimethylurea
CID 83113487
2-amino-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-methylpentanamide
CID 119751723
methyl 2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]acetate
CID 60904479
1-(2,2-dimethylbutylamino)-3-(4-fluorophenoxy)propan-2-ol
CID 103698735
2-amino-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-phenylpropanamide;hydrochloride
CID 120590377
(2R)-1-(4-fluoroanilino)-3-[4-[(2R)-3-(4-fluoroanilino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 1377310
2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-N-propan-2-ylacetamide
CID 60909218

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-methylpropanamide?
The IUPAC name of 2-amino-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-methylpropanamide (CID 119304994) is 2-amino-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-methylpropanamide?
The canonical SMILES for 2-amino-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-methylpropanamide is CC(C)(N)C(=O)NCC(O)COc1ccc(F)cc1.
What is the InChIKey of 2-amino-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-methylpropanamide?
The InChIKey is HMBSNIBGOPGTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O3/c1-13(2,15)12(18)16-7-10(17)8-19-11-5-3-9(14)4-6-11/h3-6,10,17H,7-8,15H2,1-2H3,(H,16,18).
What are the key properties of 2-amino-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-methylpropanamide?
2-amino-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-methylpropanamide has a molecular weight of 270.30 g/mol, XLogP of 0.42, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-methylpropanamide is sourced from PubChem (CID 119304994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).