3-(3-fluorophenoxy)-N-(2-hydroxy-3-methylbutyl)propanamide

C14H20FNO3 — CID 115746113

IUPAC3-(3-fluorophenoxy)-N-(2-hydroxy-3-methylbutyl)propanamide
SMILESCC(C)C(O)CNC(=O)CCOc1cccc(F)c1
InChIInChI=1S/C14H20FNO3/c1-10(2)13(17)9-16-14(18)6-7-19-12-5-3-4-11(15)8-12/h3-5,8,10,13,17H,6-7,9H2,1-2H3,(H,16,18)
InChIKeyRADLJCOMMBGDEF-UHFFFAOYSA-N
MW269.32 g/mol
LogP1.73
Rot. Bonds7

About 3-(3-fluorophenoxy)-N-(2-hydroxy-3-methylbutyl)propanamide

3-(3-fluorophenoxy)-N-(2-hydroxy-3-methylbutyl)propanamide (PubChem CID 115746113) has the molecular formula C14H20FNO3 and a molecular weight of 269.32 g/mol. Its IUPAC name is 3-(3-fluorophenoxy)-N-(2-hydroxy-3-methylbutyl)propanamide.

Molecular Properties

Compound Name3-(3-fluorophenoxy)-N-(2-hydroxy-3-methylbutyl)propanamide
PubChem CID115746113
Molecular FormulaC14H20FNO3
Molecular Weight269.32 g/mol
Exact Mass269.14
IUPAC Name3-(3-fluorophenoxy)-N-(2-hydroxy-3-methylbutyl)propanamide
SMILESCC(C)C(O)CNC(=O)CCOc1cccc(F)c1
InChIInChI=1S/C14H20FNO3/c1-10(2)13(17)9-16-14(18)6-7-19-12-5-3-4-11(15)8-12/h3-5,8,10,13,17H,6-7,9H2,1-2H3,(H,16,18)
InChIKeyRADLJCOMMBGDEF-UHFFFAOYSA-N
XLogP1.73
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(3-fluorophenoxy)propanoylamino]-2-hydroxypropanoic acid
CID 66167434
3-(3-fluorophenyl)-N-[(2R)-2-hydroxy-3-methylbutyl]propanamide
CID 97078264
3-(3-fluorophenyl)-N-[(2S)-2-hydroxy-3-methylbutyl]propanamide
CID 97078263
2-[3-(3-fluorophenoxy)propanoylamino]-3,3-dimethylbutanoic acid
CID 43467510
methyl 3-(3-fluorophenoxy)propanoate
CID 28889468
3-[4-(3-fluorophenoxy)butanoylamino]-2-phenylpropanoic acid
CID 119254459
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(3-fluorophenoxy)propanamide
CID 103839738
2-amino-N-[2-(3-fluorophenoxy)ethyl]-3-methylbutanamide
CID 110481408
3-(3-fluorophenoxy)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide
CID 43500929
2-(3-chlorophenoxy)-N-(2-hydroxy-3-methylbutyl)acetamide
CID 115701670
(2S)-2-[4-(3-fluorophenoxy)butanoylamino]-3-methylbutanoic acid
CID 119359981
N-(3-aminophenyl)-3-(3-fluorophenoxy)propanamide
CID 16792632

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenoxy)-N-(2-hydroxy-3-methylbutyl)propanamide?
The IUPAC name of 3-(3-fluorophenoxy)-N-(2-hydroxy-3-methylbutyl)propanamide (CID 115746113) is 3-(3-fluorophenoxy)-N-(2-hydroxy-3-methylbutyl)propanamide.
What is the SMILES notation for 3-(3-fluorophenoxy)-N-(2-hydroxy-3-methylbutyl)propanamide?
The canonical SMILES for 3-(3-fluorophenoxy)-N-(2-hydroxy-3-methylbutyl)propanamide is CC(C)C(O)CNC(=O)CCOc1cccc(F)c1.
What is the InChIKey of 3-(3-fluorophenoxy)-N-(2-hydroxy-3-methylbutyl)propanamide?
The InChIKey is RADLJCOMMBGDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3/c1-10(2)13(17)9-16-14(18)6-7-19-12-5-3-4-11(15)8-12/h3-5,8,10,13,17H,6-7,9H2,1-2H3,(H,16,18).
What are the key properties of 3-(3-fluorophenoxy)-N-(2-hydroxy-3-methylbutyl)propanamide?
3-(3-fluorophenoxy)-N-(2-hydroxy-3-methylbutyl)propanamide has a molecular weight of 269.32 g/mol, XLogP of 1.73, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenoxy)-N-(2-hydroxy-3-methylbutyl)propanamide is sourced from PubChem (CID 115746113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).