5-(5-fluoro-2-methylphenoxy)-2-methyl-2-(propylamino)pentanamide

C16H25FN2O2 — CID 102983576

IUPAC5-(5-fluoro-2-methylphenoxy)-2-methyl-2-(propylamino)pentanamide
SMILESCCCNC(C)(CCCOc1cc(F)ccc1C)C(N)=O
InChIInChI=1S/C16H25FN2O2/c1-4-9-19-16(3,15(18)20)8-5-10-21-14-11-13(17)7-6-12(14)2/h6-7,11,19H,4-5,8-10H2,1-3H3,(H2,18,20)
InChIKeyIESGCACVHHJINI-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.54
Rot. Bonds9

About 5-(5-fluoro-2-methylphenoxy)-2-methyl-2-(propylamino)pentanamide

5-(5-fluoro-2-methylphenoxy)-2-methyl-2-(propylamino)pentanamide (PubChem CID 102983576) has the molecular formula C16H25FN2O2 and a molecular weight of 296.39 g/mol. Its IUPAC name is 5-(5-fluoro-2-methylphenoxy)-2-methyl-2-(propylamino)pentanamide.

Molecular Properties

Compound Name5-(5-fluoro-2-methylphenoxy)-2-methyl-2-(propylamino)pentanamide
PubChem CID102983576
Molecular FormulaC16H25FN2O2
Molecular Weight296.39 g/mol
Exact Mass296.19
IUPAC Name5-(5-fluoro-2-methylphenoxy)-2-methyl-2-(propylamino)pentanamide
SMILESCCCNC(C)(CCCOc1cc(F)ccc1C)C(N)=O
InChIInChI=1S/C16H25FN2O2/c1-4-9-19-16(3,15(18)20)8-5-10-21-14-11-13(17)7-6-12(14)2/h6-7,11,19H,4-5,8-10H2,1-3H3,(H2,18,20)
InChIKeyIESGCACVHHJINI-UHFFFAOYSA-N
XLogP2.54
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-2-methylphenoxy)-2-methyl-2-(propylamino)pentanamide?
The IUPAC name of 5-(5-fluoro-2-methylphenoxy)-2-methyl-2-(propylamino)pentanamide (CID 102983576) is 5-(5-fluoro-2-methylphenoxy)-2-methyl-2-(propylamino)pentanamide.
What is the SMILES notation for 5-(5-fluoro-2-methylphenoxy)-2-methyl-2-(propylamino)pentanamide?
The canonical SMILES for 5-(5-fluoro-2-methylphenoxy)-2-methyl-2-(propylamino)pentanamide is CCCNC(C)(CCCOc1cc(F)ccc1C)C(N)=O.
What is the InChIKey of 5-(5-fluoro-2-methylphenoxy)-2-methyl-2-(propylamino)pentanamide?
The InChIKey is IESGCACVHHJINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O2/c1-4-9-19-16(3,15(18)20)8-5-10-21-14-11-13(17)7-6-12(14)2/h6-7,11,19H,4-5,8-10H2,1-3H3,(H2,18,20).
What are the key properties of 5-(5-fluoro-2-methylphenoxy)-2-methyl-2-(propylamino)pentanamide?
5-(5-fluoro-2-methylphenoxy)-2-methyl-2-(propylamino)pentanamide has a molecular weight of 296.39 g/mol, XLogP of 2.54, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-2-methylphenoxy)-2-methyl-2-(propylamino)pentanamide is sourced from PubChem (CID 102983576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).