2-(cyclopropylamino)-4-(2-fluoro-5-methylphenoxy)-2-methylpentanamide

C16H23FN2O2 — CID 64853490

IUPAC2-(cyclopropylamino)-4-(2-fluoro-5-methylphenoxy)-2-methylpentanamide
SMILESCc1ccc(F)c(OC(C)CC(C)(NC2CC2)C(N)=O)c1
InChIInChI=1S/C16H23FN2O2/c1-10-4-7-13(17)14(8-10)21-11(2)9-16(3,15(18)20)19-12-5-6-12/h4,7-8,11-12,19H,5-6,9H2,1-3H3,(H2,18,20)
InChIKeyPPPPDJDDOIOKPW-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.29
Rot. Bonds7

About 2-(cyclopropylamino)-4-(2-fluoro-5-methylphenoxy)-2-methylpentanamide

2-(cyclopropylamino)-4-(2-fluoro-5-methylphenoxy)-2-methylpentanamide (PubChem CID 64853490) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-(2-fluoro-5-methylphenoxy)-2-methylpentanamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-(2-fluoro-5-methylphenoxy)-2-methylpentanamide
PubChem CID64853490
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name2-(cyclopropylamino)-4-(2-fluoro-5-methylphenoxy)-2-methylpentanamide
SMILESCc1ccc(F)c(OC(C)CC(C)(NC2CC2)C(N)=O)c1
InChIInChI=1S/C16H23FN2O2/c1-10-4-7-13(17)14(8-10)21-11(2)9-16(3,15(18)20)19-12-5-6-12/h4,7-8,11-12,19H,5-6,9H2,1-3H3,(H2,18,20)
InChIKeyPPPPDJDDOIOKPW-UHFFFAOYSA-N
XLogP2.29
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-(2-fluoro-5-methylphenoxy)-2-methylpentanamide?
The IUPAC name of 2-(cyclopropylamino)-4-(2-fluoro-5-methylphenoxy)-2-methylpentanamide (CID 64853490) is 2-(cyclopropylamino)-4-(2-fluoro-5-methylphenoxy)-2-methylpentanamide.
What is the SMILES notation for 2-(cyclopropylamino)-4-(2-fluoro-5-methylphenoxy)-2-methylpentanamide?
The canonical SMILES for 2-(cyclopropylamino)-4-(2-fluoro-5-methylphenoxy)-2-methylpentanamide is Cc1ccc(F)c(OC(C)CC(C)(NC2CC2)C(N)=O)c1.
What is the InChIKey of 2-(cyclopropylamino)-4-(2-fluoro-5-methylphenoxy)-2-methylpentanamide?
The InChIKey is PPPPDJDDOIOKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-10-4-7-13(17)14(8-10)21-11(2)9-16(3,15(18)20)19-12-5-6-12/h4,7-8,11-12,19H,5-6,9H2,1-3H3,(H2,18,20).
What are the key properties of 2-(cyclopropylamino)-4-(2-fluoro-5-methylphenoxy)-2-methylpentanamide?
2-(cyclopropylamino)-4-(2-fluoro-5-methylphenoxy)-2-methylpentanamide has a molecular weight of 294.37 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-(2-fluoro-5-methylphenoxy)-2-methylpentanamide is sourced from PubChem (CID 64853490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).