3-(4-fluorophenoxy)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide

C15H20FNO3 — CID 114630658

IUPAC3-(4-fluorophenoxy)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide
SMILESCC1(C)C(O)CC1NC(=O)CCOc1ccc(F)cc1
InChIInChI=1S/C15H20FNO3/c1-15(2)12(9-13(15)18)17-14(19)7-8-20-11-5-3-10(16)4-6-11/h3-6,12-13,18H,7-9H2,1-2H3,(H,17,19)
InChIKeyKNFFQIHOQIGUKE-UHFFFAOYSA-N
MW281.33 g/mol
LogP1.87
Rot. Bonds5

About 3-(4-fluorophenoxy)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide

3-(4-fluorophenoxy)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide (PubChem CID 114630658) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is 3-(4-fluorophenoxy)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide.

Molecular Properties

Compound Name3-(4-fluorophenoxy)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide
PubChem CID114630658
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Name3-(4-fluorophenoxy)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide
SMILESCC1(C)C(O)CC1NC(=O)CCOc1ccc(F)cc1
InChIInChI=1S/C15H20FNO3/c1-15(2)12(9-13(15)18)17-14(19)7-8-20-11-5-3-10(16)4-6-11/h3-6,12-13,18H,7-9H2,1-2H3,(H,17,19)
InChIKeyKNFFQIHOQIGUKE-UHFFFAOYSA-N
XLogP1.87
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)butanamide
CID 114629316
3-(4-aminophenoxy)-N-(2,2-dimethyloxan-4-yl)propanamide
CID 83034462
N-[3-(aminomethyl)pentan-3-yl]-3-(4-fluorophenoxy)propanamide;hydrochloride
CID 119569552
N-(1-amino-2-methylpropan-2-yl)-3-(4-fluorophenoxy)propanamide;hydrochloride
CID 119522331
1-(4-fluorophenyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide
CID 114631615
3-(4-fluorophenoxy)-N-(2-methoxyethyl)propanamide
CID 110678607
2-(2-aminophenyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide
CID 114628289
3-(4-fluorophenoxy)-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 43060182
3-(4-fluorophenoxy)-N-(4-methylphenyl)propanamide
CID 31855578
N-(3-amino-2-methylpropyl)-3-(4-fluorophenoxy)propanamide
CID 119995301
4-(4-fluorophenoxy)-N-piperidin-4-ylbutanamide
CID 110464778
N-(2-amino-1-cyclopropylethyl)-3-(4-fluorophenoxy)propanamide;hydrochloride
CID 119614077

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenoxy)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide?
The IUPAC name of 3-(4-fluorophenoxy)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide (CID 114630658) is 3-(4-fluorophenoxy)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide.
What is the SMILES notation for 3-(4-fluorophenoxy)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide?
The canonical SMILES for 3-(4-fluorophenoxy)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide is CC1(C)C(O)CC1NC(=O)CCOc1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenoxy)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide?
The InChIKey is KNFFQIHOQIGUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3/c1-15(2)12(9-13(15)18)17-14(19)7-8-20-11-5-3-10(16)4-6-11/h3-6,12-13,18H,7-9H2,1-2H3,(H,17,19).
What are the key properties of 3-(4-fluorophenoxy)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide?
3-(4-fluorophenoxy)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide has a molecular weight of 281.33 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenoxy)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide is sourced from PubChem (CID 114630658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).