N-[2-(3-fluorophenyl)ethyl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide

C20H24FNO3 — CID 169419395

IUPACN-[2-(3-fluorophenyl)ethyl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide
SMILESCCCC(C)c1cc(C)c(C(=O)NCCc2cccc(F)c2)c(=O)o1
InChIInChI=1S/C20H24FNO3/c1-4-6-13(2)17-11-14(3)18(20(24)25-17)19(23)22-10-9-15-7-5-8-16(21)12-15/h5,7-8,11-13H,4,6,9-10H2,1-3H3,(H,22,23)
InChIKeyUNXPIPONVTWEOM-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.96
Rot. Bonds7

About N-[2-(3-fluorophenyl)ethyl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide

N-[2-(3-fluorophenyl)ethyl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide (PubChem CID 169419395) has the molecular formula C20H24FNO3 and a molecular weight of 345.41 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)ethyl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)ethyl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide
PubChem CID169419395
Molecular FormulaC20H24FNO3
Molecular Weight345.41 g/mol
Exact Mass345.17
IUPAC NameN-[2-(3-fluorophenyl)ethyl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide
SMILESCCCC(C)c1cc(C)c(C(=O)NCCc2cccc(F)c2)c(=O)o1
InChIInChI=1S/C20H24FNO3/c1-4-6-13(2)17-11-14(3)18(20(24)25-17)19(23)22-10-9-15-7-5-8-16(21)12-15/h5,7-8,11-13H,4,6,9-10H2,1-3H3,(H,22,23)
InChIKeyUNXPIPONVTWEOM-UHFFFAOYSA-N
XLogP3.96
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)ethyl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide?
The IUPAC name of N-[2-(3-fluorophenyl)ethyl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide (CID 169419395) is N-[2-(3-fluorophenyl)ethyl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)ethyl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide?
The canonical SMILES for N-[2-(3-fluorophenyl)ethyl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide is CCCC(C)c1cc(C)c(C(=O)NCCc2cccc(F)c2)c(=O)o1.
What is the InChIKey of N-[2-(3-fluorophenyl)ethyl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide?
The InChIKey is UNXPIPONVTWEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO3/c1-4-6-13(2)17-11-14(3)18(20(24)25-17)19(23)22-10-9-15-7-5-8-16(21)12-15/h5,7-8,11-13H,4,6,9-10H2,1-3H3,(H,22,23).
What are the key properties of N-[2-(3-fluorophenyl)ethyl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide?
N-[2-(3-fluorophenyl)ethyl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide has a molecular weight of 345.41 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)ethyl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide is sourced from PubChem (CID 169419395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).