2-(3-fluorophenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)propanamide

C16H24FNO3 — CID 103940911

IUPAC2-(3-fluorophenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)propanamide
SMILESCC(Oc1cccc(F)c1)C(=O)NC(CCO)C(C)(C)C
InChIInChI=1S/C16H24FNO3/c1-11(21-13-7-5-6-12(17)10-13)15(20)18-14(8-9-19)16(2,3)4/h5-7,10-11,14,19H,8-9H2,1-4H3,(H,18,20)
InChIKeyFBUNBERJMFSRNV-UHFFFAOYSA-N
MW297.37 g/mol
LogP2.51
Rot. Bonds6

About 2-(3-fluorophenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)propanamide

2-(3-fluorophenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)propanamide (PubChem CID 103940911) has the molecular formula C16H24FNO3 and a molecular weight of 297.37 g/mol. Its IUPAC name is 2-(3-fluorophenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)propanamide.

Molecular Properties

Compound Name2-(3-fluorophenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)propanamide
PubChem CID103940911
Molecular FormulaC16H24FNO3
Molecular Weight297.37 g/mol
Exact Mass297.17
IUPAC Name2-(3-fluorophenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)propanamide
SMILESCC(Oc1cccc(F)c1)C(=O)NC(CCO)C(C)(C)C
InChIInChI=1S/C16H24FNO3/c1-11(21-13-7-5-6-12(17)10-13)15(20)18-14(8-9-19)16(2,3)4/h5-7,10-11,14,19H,8-9H2,1-4H3,(H,18,20)
InChIKeyFBUNBERJMFSRNV-UHFFFAOYSA-N
XLogP2.51
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluorophenoxy)-N-(1-hydroxybutan-2-yl)propanamide
CID 43417847
2-(3-fluorophenoxy)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide
CID 61246472
2-(3-fluorophenoxy)-N-[2-(hydroxymethyl)phenyl]propanamide
CID 61497915
(2R)-4-amino-2-[2-(3-fluorophenoxy)propanoylamino]-4-oxobutanoic acid
CID 107821491
(2S)-2-[2-(3-fluorophenoxy)propanoylamino]-4-methylpentanoic acid
CID 61155162
(2R)-2-(3-fluorophenoxy)-N-[(3R)-4,4,4-trifluoro-3-hydroxybutyl]propanamide
CID 100617899
2-(3-fluorophenoxy)-N-(2,2,2-trifluoroethoxy)propanamide
CID 81339909
2-(3-fluorophenoxy)-N-(2-methoxyethyl)propanamide
CID 60675242
(2S)-N-[(1S)-2-amino-2-oxo-1-phenylethyl]-2-(3-fluorophenoxy)propanamide
CID 94047744
N-(2-ethyl-2-hydroxybutyl)-2-(3-fluorophenoxy)propanamide
CID 65113929
methyl 2-[2-(3-fluorophenoxy)propanoylamino]-2-methylpentanoate
CID 78869482
N-(2-ethylphenyl)-2-(3-fluorophenoxy)propanamide
CID 86918484

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)propanamide?
The IUPAC name of 2-(3-fluorophenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)propanamide (CID 103940911) is 2-(3-fluorophenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)propanamide.
What is the SMILES notation for 2-(3-fluorophenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)propanamide?
The canonical SMILES for 2-(3-fluorophenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)propanamide is CC(Oc1cccc(F)c1)C(=O)NC(CCO)C(C)(C)C.
What is the InChIKey of 2-(3-fluorophenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)propanamide?
The InChIKey is FBUNBERJMFSRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO3/c1-11(21-13-7-5-6-12(17)10-13)15(20)18-14(8-9-19)16(2,3)4/h5-7,10-11,14,19H,8-9H2,1-4H3,(H,18,20).
What are the key properties of 2-(3-fluorophenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)propanamide?
2-(3-fluorophenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)propanamide has a molecular weight of 297.37 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)propanamide is sourced from PubChem (CID 103940911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).