1-[2-(ethylamino)-2-(2-methylphenyl)ethyl]-3-methylpyridin-2-one

C17H22N2O — CID 63172375

IUPAC1-[2-(ethylamino)-2-(2-methylphenyl)ethyl]-3-methylpyridin-2-one
SMILESCCNC(Cn1cccc(C)c1=O)c1ccccc1C
InChIInChI=1S/C17H22N2O/c1-4-18-16(15-10-6-5-8-13(15)2)12-19-11-7-9-14(3)17(19)20/h5-11,16,18H,4,12H2,1-3H3
InChIKeyXRHZSLIXZBKWTG-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.82
Rot. Bonds5

About 1-[2-(ethylamino)-2-(2-methylphenyl)ethyl]-3-methylpyridin-2-one

1-[2-(ethylamino)-2-(2-methylphenyl)ethyl]-3-methylpyridin-2-one (PubChem CID 63172375) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-[2-(ethylamino)-2-(2-methylphenyl)ethyl]-3-methylpyridin-2-one.

Molecular Properties

Compound Name1-[2-(ethylamino)-2-(2-methylphenyl)ethyl]-3-methylpyridin-2-one
PubChem CID63172375
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name1-[2-(ethylamino)-2-(2-methylphenyl)ethyl]-3-methylpyridin-2-one
SMILESCCNC(Cn1cccc(C)c1=O)c1ccccc1C
InChIInChI=1S/C17H22N2O/c1-4-18-16(15-10-6-5-8-13(15)2)12-19-11-7-9-14(3)17(19)20/h5-11,16,18H,4,12H2,1-3H3
InChIKeyXRHZSLIXZBKWTG-UHFFFAOYSA-N
XLogP2.82
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(ethylamino)-2-(2-methylphenyl)ethyl]-3-methylpyridin-2-one?
The IUPAC name of 1-[2-(ethylamino)-2-(2-methylphenyl)ethyl]-3-methylpyridin-2-one (CID 63172375) is 1-[2-(ethylamino)-2-(2-methylphenyl)ethyl]-3-methylpyridin-2-one.
What is the SMILES notation for 1-[2-(ethylamino)-2-(2-methylphenyl)ethyl]-3-methylpyridin-2-one?
The canonical SMILES for 1-[2-(ethylamino)-2-(2-methylphenyl)ethyl]-3-methylpyridin-2-one is CCNC(Cn1cccc(C)c1=O)c1ccccc1C.
What is the InChIKey of 1-[2-(ethylamino)-2-(2-methylphenyl)ethyl]-3-methylpyridin-2-one?
The InChIKey is XRHZSLIXZBKWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-4-18-16(15-10-6-5-8-13(15)2)12-19-11-7-9-14(3)17(19)20/h5-11,16,18H,4,12H2,1-3H3.
What are the key properties of 1-[2-(ethylamino)-2-(2-methylphenyl)ethyl]-3-methylpyridin-2-one?
1-[2-(ethylamino)-2-(2-methylphenyl)ethyl]-3-methylpyridin-2-one has a molecular weight of 270.38 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethylamino)-2-(2-methylphenyl)ethyl]-3-methylpyridin-2-one is sourced from PubChem (CID 63172375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).