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

C16H23FN2O2 — CID 64854679

IUPAC2-(cyclopropylamino)-5-(2-fluoro-5-methylphenoxy)-2-methylpentanamide
SMILESCc1ccc(F)c(OCCCC(C)(NC2CC2)C(N)=O)c1
InChIInChI=1S/C16H23FN2O2/c1-11-4-7-13(17)14(10-11)21-9-3-8-16(2,15(18)20)19-12-5-6-12/h4,7,10,12,19H,3,5-6,8-9H2,1-2H3,(H2,18,20)
InChIKeyDNGRFPGHTUXFAE-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.29
Rot. Bonds8

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

2-(cyclopropylamino)-5-(2-fluoro-5-methylphenoxy)-2-methylpentanamide (PubChem CID 64854679) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 2-(cyclopropylamino)-5-(2-fluoro-5-methylphenoxy)-2-methylpentanamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-5-(2-fluoro-5-methylphenoxy)-2-methylpentanamide
PubChem CID64854679
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name2-(cyclopropylamino)-5-(2-fluoro-5-methylphenoxy)-2-methylpentanamide
SMILESCc1ccc(F)c(OCCCC(C)(NC2CC2)C(N)=O)c1
InChIInChI=1S/C16H23FN2O2/c1-11-4-7-13(17)14(10-11)21-9-3-8-16(2,15(18)20)19-12-5-6-12/h4,7,10,12,19H,3,5-6,8-9H2,1-2H3,(H2,18,20)
InChIKeyDNGRFPGHTUXFAE-UHFFFAOYSA-N
XLogP2.29
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
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

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 2-(cyclopropylamino)-5-(2-fluoro-5-methylphenoxy)-2-methylpentanamide?
The IUPAC name of 2-(cyclopropylamino)-5-(2-fluoro-5-methylphenoxy)-2-methylpentanamide (CID 64854679) is 2-(cyclopropylamino)-5-(2-fluoro-5-methylphenoxy)-2-methylpentanamide.
What is the SMILES notation for 2-(cyclopropylamino)-5-(2-fluoro-5-methylphenoxy)-2-methylpentanamide?
The canonical SMILES for 2-(cyclopropylamino)-5-(2-fluoro-5-methylphenoxy)-2-methylpentanamide is Cc1ccc(F)c(OCCCC(C)(NC2CC2)C(N)=O)c1.
What is the InChIKey of 2-(cyclopropylamino)-5-(2-fluoro-5-methylphenoxy)-2-methylpentanamide?
The InChIKey is DNGRFPGHTUXFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-11-4-7-13(17)14(10-11)21-9-3-8-16(2,15(18)20)19-12-5-6-12/h4,7,10,12,19H,3,5-6,8-9H2,1-2H3,(H2,18,20).
What are the key properties of 2-(cyclopropylamino)-5-(2-fluoro-5-methylphenoxy)-2-methylpentanamide?
2-(cyclopropylamino)-5-(2-fluoro-5-methylphenoxy)-2-methylpentanamide has a molecular weight of 294.37 g/mol, XLogP of 2.29, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-5-(2-fluoro-5-methylphenoxy)-2-methylpentanamide is sourced from PubChem (CID 64854679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).