3-[[3-(4-fluorophenoxy)-2-hydroxypropyl]-methylamino]-N,2-dimethylpropanamide

C15H23FN2O3 — CID 111635190

IUPAC3-[[3-(4-fluorophenoxy)-2-hydroxypropyl]-methylamino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)CC(O)COc1ccc(F)cc1
InChIInChI=1S/C15H23FN2O3/c1-11(15(20)17-2)8-18(3)9-13(19)10-21-14-6-4-12(16)5-7-14/h4-7,11,13,19H,8-10H2,1-3H3,(H,17,20)
InChIKeyBFOBWYBUXGXYKC-UHFFFAOYSA-N
MW298.36 g/mol
LogP0.88
Rot. Bonds8

About 3-[[3-(4-fluorophenoxy)-2-hydroxypropyl]-methylamino]-N,2-dimethylpropanamide

3-[[3-(4-fluorophenoxy)-2-hydroxypropyl]-methylamino]-N,2-dimethylpropanamide (PubChem CID 111635190) has the molecular formula C15H23FN2O3 and a molecular weight of 298.36 g/mol. Its IUPAC name is 3-[[3-(4-fluorophenoxy)-2-hydroxypropyl]-methylamino]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[[3-(4-fluorophenoxy)-2-hydroxypropyl]-methylamino]-N,2-dimethylpropanamide
PubChem CID111635190
Molecular FormulaC15H23FN2O3
Molecular Weight298.36 g/mol
Exact Mass298.17
IUPAC Name3-[[3-(4-fluorophenoxy)-2-hydroxypropyl]-methylamino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)CC(O)COc1ccc(F)cc1
InChIInChI=1S/C15H23FN2O3/c1-11(15(20)17-2)8-18(3)9-13(19)10-21-14-6-4-12(16)5-7-14/h4-7,11,13,19H,8-10H2,1-3H3,(H,17,20)
InChIKeyBFOBWYBUXGXYKC-UHFFFAOYSA-N
XLogP0.88
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-N-methylpropanamide
CID 61464487
N-tert-butyl-2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]-methylamino]acetamide
CID 110882203
N,N-diethyl-2-[[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]-methylamino]acetamide
CID 26005266
1-(4-fluorophenoxy)-3-[(2-methoxyphenyl)methyl-methylamino]propan-2-ol
CID 110877418
1,3-bis(4-fluorophenoxy)propan-2-ol
CID 109412822
1-[[2-(dimethylamino)pyrimidin-5-yl]methyl-methylamino]-3-(4-fluorophenoxy)propan-2-ol
CID 110019576
3-(4-fluorophenyl)-1-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methylurea
CID 60526456
(2R)-1-[benzyl(methyl)amino]-3-[4-[[(4-fluorophenyl)methylamino]methyl]phenoxy]propan-2-ol
CID 26323939
3-[2-(4-carbamothioylphenoxy)ethyl-methylamino]-N,2-dimethylpropanamide
CID 106915714
2-methyl-3-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]propanoic acid
CID 106916265
3-[2-(4-fluorophenoxy)ethyl-methylamino]-2-methylpropanoic acid
CID 55007792
methyl 3-[2-(4-fluorophenoxy)ethyl-methylamino]-2-methylpropanoate
CID 60681956

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(4-fluorophenoxy)-2-hydroxypropyl]-methylamino]-N,2-dimethylpropanamide?
The IUPAC name of 3-[[3-(4-fluorophenoxy)-2-hydroxypropyl]-methylamino]-N,2-dimethylpropanamide (CID 111635190) is 3-[[3-(4-fluorophenoxy)-2-hydroxypropyl]-methylamino]-N,2-dimethylpropanamide.
What is the SMILES notation for 3-[[3-(4-fluorophenoxy)-2-hydroxypropyl]-methylamino]-N,2-dimethylpropanamide?
The canonical SMILES for 3-[[3-(4-fluorophenoxy)-2-hydroxypropyl]-methylamino]-N,2-dimethylpropanamide is CNC(=O)C(C)CN(C)CC(O)COc1ccc(F)cc1.
What is the InChIKey of 3-[[3-(4-fluorophenoxy)-2-hydroxypropyl]-methylamino]-N,2-dimethylpropanamide?
The InChIKey is BFOBWYBUXGXYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O3/c1-11(15(20)17-2)8-18(3)9-13(19)10-21-14-6-4-12(16)5-7-14/h4-7,11,13,19H,8-10H2,1-3H3,(H,17,20).
What are the key properties of 3-[[3-(4-fluorophenoxy)-2-hydroxypropyl]-methylamino]-N,2-dimethylpropanamide?
3-[[3-(4-fluorophenoxy)-2-hydroxypropyl]-methylamino]-N,2-dimethylpropanamide has a molecular weight of 298.36 g/mol, XLogP of 0.88, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(4-fluorophenoxy)-2-hydroxypropyl]-methylamino]-N,2-dimethylpropanamide is sourced from PubChem (CID 111635190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).