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

C16H25FN2O2 — CID 64854487

IUPAC4-(2-fluoro-5-methylphenoxy)-2-methyl-2-(propan-2-ylamino)pentanamide
SMILESCc1ccc(F)c(OC(C)CC(C)(NC(C)C)C(N)=O)c1
InChIInChI=1S/C16H25FN2O2/c1-10(2)19-16(5,15(18)20)9-12(4)21-14-8-11(3)6-7-13(14)17/h6-8,10,12,19H,9H2,1-5H3,(H2,18,20)
InChIKeyPSHIIRWISWEKQD-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.53
Rot. Bonds7

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

4-(2-fluoro-5-methylphenoxy)-2-methyl-2-(propan-2-ylamino)pentanamide (PubChem CID 64854487) has the molecular formula C16H25FN2O2 and a molecular weight of 296.39 g/mol. Its IUPAC name is 4-(2-fluoro-5-methylphenoxy)-2-methyl-2-(propan-2-ylamino)pentanamide.

Molecular Properties

Compound Name4-(2-fluoro-5-methylphenoxy)-2-methyl-2-(propan-2-ylamino)pentanamide
PubChem CID64854487
Molecular FormulaC16H25FN2O2
Molecular Weight296.39 g/mol
Exact Mass296.19
IUPAC Name4-(2-fluoro-5-methylphenoxy)-2-methyl-2-(propan-2-ylamino)pentanamide
SMILESCc1ccc(F)c(OC(C)CC(C)(NC(C)C)C(N)=O)c1
InChIInChI=1S/C16H25FN2O2/c1-10(2)19-16(5,15(18)20)9-12(4)21-14-8-11(3)6-7-13(14)17/h6-8,10,12,19H,9H2,1-5H3,(H2,18,20)
InChIKeyPSHIIRWISWEKQD-UHFFFAOYSA-N
XLogP2.53
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.53
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)pentanamide?
The IUPAC name of 4-(2-fluoro-5-methylphenoxy)-2-methyl-2-(propan-2-ylamino)pentanamide (CID 64854487) is 4-(2-fluoro-5-methylphenoxy)-2-methyl-2-(propan-2-ylamino)pentanamide.
What is the SMILES notation for 4-(2-fluoro-5-methylphenoxy)-2-methyl-2-(propan-2-ylamino)pentanamide?
The canonical SMILES for 4-(2-fluoro-5-methylphenoxy)-2-methyl-2-(propan-2-ylamino)pentanamide is Cc1ccc(F)c(OC(C)CC(C)(NC(C)C)C(N)=O)c1.
What is the InChIKey of 4-(2-fluoro-5-methylphenoxy)-2-methyl-2-(propan-2-ylamino)pentanamide?
The InChIKey is PSHIIRWISWEKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O2/c1-10(2)19-16(5,15(18)20)9-12(4)21-14-8-11(3)6-7-13(14)17/h6-8,10,12,19H,9H2,1-5H3,(H2,18,20).
What are the key properties of 4-(2-fluoro-5-methylphenoxy)-2-methyl-2-(propan-2-ylamino)pentanamide?
4-(2-fluoro-5-methylphenoxy)-2-methyl-2-(propan-2-ylamino)pentanamide has a molecular weight of 296.39 g/mol, XLogP of 2.53, 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)pentanamide is sourced from PubChem (CID 64854487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).