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

C13H19FN2O3 — CID 61464487

IUPAC2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-N-methylpropanamide
SMILESCNC(=O)C(C)NCC(O)COc1ccc(F)cc1
InChIInChI=1S/C13H19FN2O3/c1-9(13(18)15-2)16-7-11(17)8-19-12-5-3-10(14)4-6-12/h3-6,9,11,16-17H,7-8H2,1-2H3,(H,15,18)
InChIKeyUPAZHAPCJRKFAI-UHFFFAOYSA-N
MW270.30 g/mol
LogP0.29
Rot. Bonds7

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

2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-N-methylpropanamide (PubChem CID 61464487) has the molecular formula C13H19FN2O3 and a molecular weight of 270.30 g/mol. Its IUPAC name is 2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-N-methylpropanamide
PubChem CID61464487
Molecular FormulaC13H19FN2O3
Molecular Weight270.30 g/mol
Exact Mass270.14
IUPAC Name2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-N-methylpropanamide
SMILESCNC(=O)C(C)NCC(O)COc1ccc(F)cc1
InChIInChI=1S/C13H19FN2O3/c1-9(13(18)15-2)16-7-11(17)8-19-12-5-3-10(14)4-6-12/h3-6,9,11,16-17H,7-8H2,1-2H3,(H,15,18)
InChIKeyUPAZHAPCJRKFAI-UHFFFAOYSA-N
XLogP0.29
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-hydroxy-3-phenoxypropyl)amino]-N-methylpropanamide
CID 54950769
1-(4-fluorophenoxy)-3-(1-hydroxypropan-2-ylamino)propan-2-ol
CID 60909045
2-[[3-(3-bromophenoxy)-2-hydroxypropyl]amino]-N-methylpropanamide
CID 61464656
3-[[3-(4-fluorophenoxy)-2-hydroxypropyl]-methylamino]-N,2-dimethylpropanamide
CID 111635190
N-ethyl-2-[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]propanamide
CID 61477112
(2S)-2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-3,3-dimethylbutanamide
CID 111544161
(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
3-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-N,2,2-trimethylpropanamide
CID 106276848
2-amino-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-methylpentanamide
CID 119751723
(2R)-2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]propanoic acid
CID 40543805
methyl 2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]acetate
CID 60904479

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-N-methylpropanamide?
The IUPAC name of 2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-N-methylpropanamide (CID 61464487) is 2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-N-methylpropanamide.
What is the SMILES notation for 2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-N-methylpropanamide?
The canonical SMILES for 2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-N-methylpropanamide is CNC(=O)C(C)NCC(O)COc1ccc(F)cc1.
What is the InChIKey of 2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-N-methylpropanamide?
The InChIKey is UPAZHAPCJRKFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O3/c1-9(13(18)15-2)16-7-11(17)8-19-12-5-3-10(14)4-6-12/h3-6,9,11,16-17H,7-8H2,1-2H3,(H,15,18).
What are the key properties of 2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-N-methylpropanamide?
2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-N-methylpropanamide has a molecular weight of 270.30 g/mol, XLogP of 0.29, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-N-methylpropanamide is sourced from PubChem (CID 61464487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).