5-[(2-ethoxyphenyl)methylamino]-1-ethylpyridin-2-one

C16H20N2O2 — CID 60944031

IUPAC5-[(2-ethoxyphenyl)methylamino]-1-ethylpyridin-2-one
SMILESCCOc1ccccc1CNc1ccc(=O)n(CC)c1
InChIInChI=1S/C16H20N2O2/c1-3-18-12-14(9-10-16(18)19)17-11-13-7-5-6-8-15(13)20-4-2/h5-10,12,17H,3-4,11H2,1-2H3
InChIKeyAYBHCAJVHNHEFY-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.88
Rot. Bonds6

About 5-[(2-ethoxyphenyl)methylamino]-1-ethylpyridin-2-one

5-[(2-ethoxyphenyl)methylamino]-1-ethylpyridin-2-one (PubChem CID 60944031) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 5-[(2-ethoxyphenyl)methylamino]-1-ethylpyridin-2-one.

Molecular Properties

Compound Name5-[(2-ethoxyphenyl)methylamino]-1-ethylpyridin-2-one
PubChem CID60944031
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name5-[(2-ethoxyphenyl)methylamino]-1-ethylpyridin-2-one
SMILESCCOc1ccccc1CNc1ccc(=O)n(CC)c1
InChIInChI=1S/C16H20N2O2/c1-3-18-12-14(9-10-16(18)19)17-11-13-7-5-6-8-15(13)20-4-2/h5-10,12,17H,3-4,11H2,1-2H3
InChIKeyAYBHCAJVHNHEFY-UHFFFAOYSA-N
XLogP2.88
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-ethoxyphenyl)methylamino]-1-ethylpyridin-2-one?
The IUPAC name of 5-[(2-ethoxyphenyl)methylamino]-1-ethylpyridin-2-one (CID 60944031) is 5-[(2-ethoxyphenyl)methylamino]-1-ethylpyridin-2-one.
What is the SMILES notation for 5-[(2-ethoxyphenyl)methylamino]-1-ethylpyridin-2-one?
The canonical SMILES for 5-[(2-ethoxyphenyl)methylamino]-1-ethylpyridin-2-one is CCOc1ccccc1CNc1ccc(=O)n(CC)c1.
What is the InChIKey of 5-[(2-ethoxyphenyl)methylamino]-1-ethylpyridin-2-one?
The InChIKey is AYBHCAJVHNHEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-3-18-12-14(9-10-16(18)19)17-11-13-7-5-6-8-15(13)20-4-2/h5-10,12,17H,3-4,11H2,1-2H3.
What are the key properties of 5-[(2-ethoxyphenyl)methylamino]-1-ethylpyridin-2-one?
5-[(2-ethoxyphenyl)methylamino]-1-ethylpyridin-2-one has a molecular weight of 272.35 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-ethoxyphenyl)methylamino]-1-ethylpyridin-2-one is sourced from PubChem (CID 60944031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).