N-(2-cyclopentyl-2-hydroxyethyl)-2-(4-fluorophenoxy)-2-methylpropanamide

C17H24FNO3 — CID 111426344

IUPACN-(2-cyclopentyl-2-hydroxyethyl)-2-(4-fluorophenoxy)-2-methylpropanamide
SMILESCC(C)(Oc1ccc(F)cc1)C(=O)NCC(O)C1CCCC1
InChIInChI=1S/C17H24FNO3/c1-17(2,22-14-9-7-13(18)8-10-14)16(21)19-11-15(20)12-5-3-4-6-12/h7-10,12,15,20H,3-6,11H2,1-2H3,(H,19,21)
InChIKeyUBMNZFXEFGKJPO-UHFFFAOYSA-N
MW309.38 g/mol
LogP2.65
Rot. Bonds6

About N-(2-cyclopentyl-2-hydroxyethyl)-2-(4-fluorophenoxy)-2-methylpropanamide

N-(2-cyclopentyl-2-hydroxyethyl)-2-(4-fluorophenoxy)-2-methylpropanamide (PubChem CID 111426344) has the molecular formula C17H24FNO3 and a molecular weight of 309.38 g/mol. Its IUPAC name is N-(2-cyclopentyl-2-hydroxyethyl)-2-(4-fluorophenoxy)-2-methylpropanamide.

Molecular Properties

Compound NameN-(2-cyclopentyl-2-hydroxyethyl)-2-(4-fluorophenoxy)-2-methylpropanamide
PubChem CID111426344
Molecular FormulaC17H24FNO3
Molecular Weight309.38 g/mol
Exact Mass309.17
IUPAC NameN-(2-cyclopentyl-2-hydroxyethyl)-2-(4-fluorophenoxy)-2-methylpropanamide
SMILESCC(C)(Oc1ccc(F)cc1)C(=O)NCC(O)C1CCCC1
InChIInChI=1S/C17H24FNO3/c1-17(2,22-14-9-7-13(18)8-10-14)16(21)19-11-15(20)12-5-3-4-6-12/h7-10,12,15,20H,3-6,11H2,1-2H3,(H,19,21)
InChIKeyUBMNZFXEFGKJPO-UHFFFAOYSA-N
XLogP2.65
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyclohexyl-2-hydroxyethyl)-2-(4-fluorophenoxy)acetamide
CID 90498778
2-(4-fluorophenoxy)-N-[(1-hydroxycyclobutyl)methyl]-2-methylpropanamide
CID 115643394
N-[(2R)-2-cyclohexyl-2-hydroxyethyl]-2,2-dimethylpropanamide
CID 95292122
2-(4-fluorophenoxy)-N-(2-hydroxy-2,3-dimethylbutyl)-2-methylpropanamide
CID 111483880
2-(4-fluorophenoxy)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-methylpropanamide
CID 111784540
2-(4-fluorophenoxy)-2-methylpropanehydrazide
CID 43236623
N-(2-cyclohexyl-2-hydroxyethyl)-2-(4-fluorophenyl)sulfanylacetamide
CID 71782115
2-(4-fluorophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)-2-methylpropanamide
CID 103772311
2-amino-N-(2-cyclohexyl-2-hydroxyethyl)-2-phenylpropanamide
CID 120589210
2-(4-fluorophenoxy)-2-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]propanamide
CID 86930849
tert-butyl N-(2-cyclobutyl-2-hydroxyethyl)carbamate
CID 116861144
N-cyclopropyl-2-(4-fluorophenoxy)-N-[(4-fluorophenyl)methyl]-2-methylpropanamide
CID 78813870

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentyl-2-hydroxyethyl)-2-(4-fluorophenoxy)-2-methylpropanamide?
The IUPAC name of N-(2-cyclopentyl-2-hydroxyethyl)-2-(4-fluorophenoxy)-2-methylpropanamide (CID 111426344) is N-(2-cyclopentyl-2-hydroxyethyl)-2-(4-fluorophenoxy)-2-methylpropanamide.
What is the SMILES notation for N-(2-cyclopentyl-2-hydroxyethyl)-2-(4-fluorophenoxy)-2-methylpropanamide?
The canonical SMILES for N-(2-cyclopentyl-2-hydroxyethyl)-2-(4-fluorophenoxy)-2-methylpropanamide is CC(C)(Oc1ccc(F)cc1)C(=O)NCC(O)C1CCCC1.
What is the InChIKey of N-(2-cyclopentyl-2-hydroxyethyl)-2-(4-fluorophenoxy)-2-methylpropanamide?
The InChIKey is UBMNZFXEFGKJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO3/c1-17(2,22-14-9-7-13(18)8-10-14)16(21)19-11-15(20)12-5-3-4-6-12/h7-10,12,15,20H,3-6,11H2,1-2H3,(H,19,21).
What are the key properties of N-(2-cyclopentyl-2-hydroxyethyl)-2-(4-fluorophenoxy)-2-methylpropanamide?
N-(2-cyclopentyl-2-hydroxyethyl)-2-(4-fluorophenoxy)-2-methylpropanamide has a molecular weight of 309.38 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentyl-2-hydroxyethyl)-2-(4-fluorophenoxy)-2-methylpropanamide is sourced from PubChem (CID 111426344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).