5-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-methylpentanamide

C16H25FN2O — CID 104684492

IUPAC5-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-methylpentanamide
SMILESCCN(C(=O)C(C)CCCN)C(C)c1ccc(F)cc1
InChIInChI=1S/C16H25FN2O/c1-4-19(16(20)12(2)6-5-11-18)13(3)14-7-9-15(17)10-8-14/h7-10,12-13H,4-6,11,18H2,1-3H3
InChIKeyMMOBPIZNCKYWIH-UHFFFAOYSA-N
MW280.39 g/mol
LogP3.11
Rot. Bonds7

About 5-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-methylpentanamide

5-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-methylpentanamide (PubChem CID 104684492) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 5-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-methylpentanamide.

Molecular Properties

Compound Name5-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-methylpentanamide
PubChem CID104684492
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name5-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-methylpentanamide
SMILESCCN(C(=O)C(C)CCCN)C(C)c1ccc(F)cc1
InChIInChI=1S/C16H25FN2O/c1-4-19(16(20)12(2)6-5-11-18)13(3)14-7-9-15(17)10-8-14/h7-10,12-13H,4-6,11,18H2,1-3H3
InChIKeyMMOBPIZNCKYWIH-UHFFFAOYSA-N
XLogP3.11
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-methylpentanamide?
The IUPAC name of 5-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-methylpentanamide (CID 104684492) is 5-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-methylpentanamide.
What is the SMILES notation for 5-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-methylpentanamide?
The canonical SMILES for 5-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-methylpentanamide is CCN(C(=O)C(C)CCCN)C(C)c1ccc(F)cc1.
What is the InChIKey of 5-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-methylpentanamide?
The InChIKey is MMOBPIZNCKYWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-4-19(16(20)12(2)6-5-11-18)13(3)14-7-9-15(17)10-8-14/h7-10,12-13H,4-6,11,18H2,1-3H3.
What are the key properties of 5-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-methylpentanamide?
5-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-methylpentanamide has a molecular weight of 280.39 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-methylpentanamide is sourced from PubChem (CID 104684492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).