4-(2-fluoro-5-methylphenoxy)-2-methyl-2-(propan-2-ylamino)butanamide

C15H23FN2O2 — CID 64854482

IUPAC4-(2-fluoro-5-methylphenoxy)-2-methyl-2-(propan-2-ylamino)butanamide
SMILESCc1ccc(F)c(OCCC(C)(NC(C)C)C(N)=O)c1
InChIInChI=1S/C15H23FN2O2/c1-10(2)18-15(4,14(17)19)7-8-20-13-9-11(3)5-6-12(13)16/h5-6,9-10,18H,7-8H2,1-4H3,(H2,17,19)
InChIKeyOEBNPLXYBSBJOE-UHFFFAOYSA-N
MW282.36 g/mol
LogP2.15
Rot. Bonds7

About 4-(2-fluoro-5-methylphenoxy)-2-methyl-2-(propan-2-ylamino)butanamide

4-(2-fluoro-5-methylphenoxy)-2-methyl-2-(propan-2-ylamino)butanamide (PubChem CID 64854482) has the molecular formula C15H23FN2O2 and a molecular weight of 282.36 g/mol. Its IUPAC name is 4-(2-fluoro-5-methylphenoxy)-2-methyl-2-(propan-2-ylamino)butanamide.

Molecular Properties

Compound Name4-(2-fluoro-5-methylphenoxy)-2-methyl-2-(propan-2-ylamino)butanamide
PubChem CID64854482
Molecular FormulaC15H23FN2O2
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC Name4-(2-fluoro-5-methylphenoxy)-2-methyl-2-(propan-2-ylamino)butanamide
SMILESCc1ccc(F)c(OCCC(C)(NC(C)C)C(N)=O)c1
InChIInChI=1S/C15H23FN2O2/c1-10(2)18-15(4,14(17)19)7-8-20-13-9-11(3)5-6-12(13)16/h5-6,9-10,18H,7-8H2,1-4H3,(H2,17,19)
InChIKeyOEBNPLXYBSBJOE-UHFFFAOYSA-N
XLogP2.15
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-5-methylphenoxy)-2-methyl-2-(propan-2-ylamino)butanamide?
The IUPAC name of 4-(2-fluoro-5-methylphenoxy)-2-methyl-2-(propan-2-ylamino)butanamide (CID 64854482) is 4-(2-fluoro-5-methylphenoxy)-2-methyl-2-(propan-2-ylamino)butanamide.
What is the SMILES notation for 4-(2-fluoro-5-methylphenoxy)-2-methyl-2-(propan-2-ylamino)butanamide?
The canonical SMILES for 4-(2-fluoro-5-methylphenoxy)-2-methyl-2-(propan-2-ylamino)butanamide is Cc1ccc(F)c(OCCC(C)(NC(C)C)C(N)=O)c1.
What is the InChIKey of 4-(2-fluoro-5-methylphenoxy)-2-methyl-2-(propan-2-ylamino)butanamide?
The InChIKey is OEBNPLXYBSBJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2/c1-10(2)18-15(4,14(17)19)7-8-20-13-9-11(3)5-6-12(13)16/h5-6,9-10,18H,7-8H2,1-4H3,(H2,17,19).
What are the key properties of 4-(2-fluoro-5-methylphenoxy)-2-methyl-2-(propan-2-ylamino)butanamide?
4-(2-fluoro-5-methylphenoxy)-2-methyl-2-(propan-2-ylamino)butanamide has a molecular weight of 282.36 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-5-methylphenoxy)-2-methyl-2-(propan-2-ylamino)butanamide is sourced from PubChem (CID 64854482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).