3-(3-fluorophenoxy)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide

C13H18FNO3 — CID 43500929

IUPAC3-(3-fluorophenoxy)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide
SMILESCC(C)(CO)NC(=O)CCOc1cccc(F)c1
InChIInChI=1S/C13H18FNO3/c1-13(2,9-16)15-12(17)6-7-18-11-5-3-4-10(14)8-11/h3-5,8,16H,6-7,9H2,1-2H3,(H,15,17)
InChIKeyNYVCMVOAVJJJRZ-UHFFFAOYSA-N
MW255.29 g/mol
LogP1.48
Rot. Bonds6

About 3-(3-fluorophenoxy)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide

3-(3-fluorophenoxy)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide (PubChem CID 43500929) has the molecular formula C13H18FNO3 and a molecular weight of 255.29 g/mol. Its IUPAC name is 3-(3-fluorophenoxy)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide.

Molecular Properties

Compound Name3-(3-fluorophenoxy)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide
PubChem CID43500929
Molecular FormulaC13H18FNO3
Molecular Weight255.29 g/mol
Exact Mass255.13
IUPAC Name3-(3-fluorophenoxy)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide
SMILESCC(C)(CO)NC(=O)CCOc1cccc(F)c1
InChIInChI=1S/C13H18FNO3/c1-13(2,9-16)15-12(17)6-7-18-11-5-3-4-10(14)8-11/h3-5,8,16H,6-7,9H2,1-2H3,(H,15,17)
InChIKeyNYVCMVOAVJJJRZ-UHFFFAOYSA-N
XLogP1.48
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-bromophenoxy)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide
CID 43390558
2-[3-(3-fluorophenoxy)propanoylamino]-3,3-dimethylbutanoic acid
CID 43467510
methyl 3-(3-fluorophenoxy)propanoate
CID 28889468
N-(1-amino-2-methylpropan-2-yl)-3-(3-bromophenoxy)propanamide
CID 119522531
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(3-fluorophenoxy)propanamide
CID 103839738
3-(3-fluorophenoxy)-N-[4-(hydroxymethyl)phenyl]propanamide
CID 64794121
2-[3-(3-fluorophenoxy)propanoylamino]oxyacetic acid
CID 63930757
3-(3-fluorophenoxy)-N-(2-hydroxy-3-methylbutyl)propanamide
CID 115746113
N-(1-amino-2-methylpropan-2-yl)-3-(4-fluorophenoxy)propanamide;hydrochloride
CID 119522331
2-amino-4-(3-fluorophenoxy)-2-methylbutan-1-ol
CID 64804560
4-(3-fluorophenoxy)-N-(1-hydroxypropan-2-yl)butanamide
CID 110901665
N-(3-aminophenyl)-3-(3-fluorophenoxy)propanamide
CID 16792632

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenoxy)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide?
The IUPAC name of 3-(3-fluorophenoxy)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide (CID 43500929) is 3-(3-fluorophenoxy)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide.
What is the SMILES notation for 3-(3-fluorophenoxy)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide?
The canonical SMILES for 3-(3-fluorophenoxy)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide is CC(C)(CO)NC(=O)CCOc1cccc(F)c1.
What is the InChIKey of 3-(3-fluorophenoxy)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide?
The InChIKey is NYVCMVOAVJJJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO3/c1-13(2,9-16)15-12(17)6-7-18-11-5-3-4-10(14)8-11/h3-5,8,16H,6-7,9H2,1-2H3,(H,15,17).
What are the key properties of 3-(3-fluorophenoxy)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide?
3-(3-fluorophenoxy)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide has a molecular weight of 255.29 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenoxy)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide is sourced from PubChem (CID 43500929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).