2-(4-fluorophenoxy)-N-(2-hydroxy-4-methoxy-2-methylbutyl)propanamide

C15H22FNO4 — CID 103712364

IUPAC2-(4-fluorophenoxy)-N-(2-hydroxy-4-methoxy-2-methylbutyl)propanamide
SMILESCOCCC(C)(O)CNC(=O)C(C)Oc1ccc(F)cc1
InChIInChI=1S/C15H22FNO4/c1-11(21-13-6-4-12(16)5-7-13)14(18)17-10-15(2,19)8-9-20-3/h4-7,11,19H,8-10H2,1-3H3,(H,17,18)
InChIKeyZRAYQZDYQKQUFS-UHFFFAOYSA-N
MW299.34 g/mol
LogP1.50
Rot. Bonds8

About 2-(4-fluorophenoxy)-N-(2-hydroxy-4-methoxy-2-methylbutyl)propanamide

2-(4-fluorophenoxy)-N-(2-hydroxy-4-methoxy-2-methylbutyl)propanamide (PubChem CID 103712364) has the molecular formula C15H22FNO4 and a molecular weight of 299.34 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-(2-hydroxy-4-methoxy-2-methylbutyl)propanamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-(2-hydroxy-4-methoxy-2-methylbutyl)propanamide
PubChem CID103712364
Molecular FormulaC15H22FNO4
Molecular Weight299.34 g/mol
Exact Mass299.15
IUPAC Name2-(4-fluorophenoxy)-N-(2-hydroxy-4-methoxy-2-methylbutyl)propanamide
SMILESCOCCC(C)(O)CNC(=O)C(C)Oc1ccc(F)cc1
InChIInChI=1S/C15H22FNO4/c1-11(21-13-6-4-12(16)5-7-13)14(18)17-10-15(2,19)8-9-20-3/h4-7,11,19H,8-10H2,1-3H3,(H,17,18)
InChIKeyZRAYQZDYQKQUFS-UHFFFAOYSA-N
XLogP1.50
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-Methyl-2-(2-phenoxyacetamido)butanoic acid
CID 2942249
N-(2-hydroxyethyl)-2-phenoxyacetamide
CID 80619
(2S)-3-methyl-2-(2-phenoxyacetamido)butanoic acid
CID 749024
Acylglycineboronic acid, 8
CID 52939987
N-cyclopropyl-2-(4-fluorophenoxy)acetamide
CID 653897
4-Methyl-2-(2-phenoxyacetamido)pentanoic acid
CID 2770853
2-(2-Phenoxyacetamido)propanoic acid
CID 2787611
N-cyclopropyl-2-(2-fluorophenoxy)acetamide
CID 1294449
N-(2-methoxyethyl)-2-phenoxypropanamide
CID 2889484
2-(2-fluorophenoxy)-N-(2-piperidin-1-ylethyl)propanamide
CID 2935429
2-(4-fluorophenoxy)-N-(tetrahydro-2-furanylmethyl)acetamide
CID 2937969
N-[(E)-4-ethoxy-2-hydroxy-2-(trifluoromethyl)but-3-enyl]-2-(2-fluorophenoxy)acetamide
CID 5742499

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-(2-hydroxy-4-methoxy-2-methylbutyl)propanamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-(2-hydroxy-4-methoxy-2-methylbutyl)propanamide (CID 103712364) is 2-(4-fluorophenoxy)-N-(2-hydroxy-4-methoxy-2-methylbutyl)propanamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-(2-hydroxy-4-methoxy-2-methylbutyl)propanamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-(2-hydroxy-4-methoxy-2-methylbutyl)propanamide is COCCC(C)(O)CNC(=O)C(C)Oc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-(2-hydroxy-4-methoxy-2-methylbutyl)propanamide?
The InChIKey is ZRAYQZDYQKQUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO4/c1-11(21-13-6-4-12(16)5-7-13)14(18)17-10-15(2,19)8-9-20-3/h4-7,11,19H,8-10H2,1-3H3,(H,17,18).
What are the key properties of 2-(4-fluorophenoxy)-N-(2-hydroxy-4-methoxy-2-methylbutyl)propanamide?
2-(4-fluorophenoxy)-N-(2-hydroxy-4-methoxy-2-methylbutyl)propanamide has a molecular weight of 299.34 g/mol, XLogP of 1.50, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-(2-hydroxy-4-methoxy-2-methylbutyl)propanamide is sourced from PubChem (CID 103712364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).