5-[1-(4-tert-butylphenyl)ethylamino]-1-methylpyridin-2-one

C18H24N2O — CID 60930651

IUPAC5-[1-(4-tert-butylphenyl)ethylamino]-1-methylpyridin-2-one
SMILESCC(Nc1ccc(=O)n(C)c1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H24N2O/c1-13(19-16-10-11-17(21)20(5)12-16)14-6-8-15(9-7-14)18(2,3)4/h6-13,19H,1-5H3
InChIKeyZKIQDLFGDNZITR-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.86
Rot. Bonds3

About 5-[1-(4-tert-butylphenyl)ethylamino]-1-methylpyridin-2-one

5-[1-(4-tert-butylphenyl)ethylamino]-1-methylpyridin-2-one (PubChem CID 60930651) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 5-[1-(4-tert-butylphenyl)ethylamino]-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[1-(4-tert-butylphenyl)ethylamino]-1-methylpyridin-2-one
PubChem CID60930651
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name5-[1-(4-tert-butylphenyl)ethylamino]-1-methylpyridin-2-one
SMILESCC(Nc1ccc(=O)n(C)c1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H24N2O/c1-13(19-16-10-11-17(21)20(5)12-16)14-6-8-15(9-7-14)18(2,3)4/h6-13,19H,1-5H3
InChIKeyZKIQDLFGDNZITR-UHFFFAOYSA-N
XLogP3.86
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[1-(4-hydroxyphenyl)ethylamino]-1-methylpyridin-2-one
CID 54866004
N-[1-(4-tert-butylphenyl)ethyl]-4-methoxyaniline
CID 10379104
1-methyl-5-(2-methylpentan-3-ylamino)pyridin-2-one
CID 60932040
5-[1-(3-bromothiophen-2-yl)ethylamino]-1-methylpyridin-2-one
CID 54866057
N-[1-(4-tert-butylphenyl)ethyl]-1-propan-2-ylpyrazol-4-amine
CID 62904585
N-[1-(4-tert-butylphenyl)ethyl]-3,5-difluoroaniline
CID 43100376
5-[1-(5-ethylthiophen-2-yl)ethylamino]-1-methylpyridin-2-one
CID 61334552
1-methyl-5-[1-(1-methylcyclopropyl)ethylamino]pyridin-2-one
CID 60932218
N-[1-(4-tert-butylphenyl)ethyl]-4-fluoro-3-methylaniline
CID 63476341
1-methyl-5-[1-(1-methylbenzimidazol-2-yl)ethylamino]pyridin-2-one
CID 60932031
1-methyl-5-(2-methylbutylamino)pyridin-2-one
CID 60931970
4-[1-[(6-oxo-1-propyl-3-pyridinyl)amino]ethyl]benzonitrile
CID 60943308

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-tert-butylphenyl)ethylamino]-1-methylpyridin-2-one?
The IUPAC name of 5-[1-(4-tert-butylphenyl)ethylamino]-1-methylpyridin-2-one (CID 60930651) is 5-[1-(4-tert-butylphenyl)ethylamino]-1-methylpyridin-2-one.
What is the SMILES notation for 5-[1-(4-tert-butylphenyl)ethylamino]-1-methylpyridin-2-one?
The canonical SMILES for 5-[1-(4-tert-butylphenyl)ethylamino]-1-methylpyridin-2-one is CC(Nc1ccc(=O)n(C)c1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 5-[1-(4-tert-butylphenyl)ethylamino]-1-methylpyridin-2-one?
The InChIKey is ZKIQDLFGDNZITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-13(19-16-10-11-17(21)20(5)12-16)14-6-8-15(9-7-14)18(2,3)4/h6-13,19H,1-5H3.
What are the key properties of 5-[1-(4-tert-butylphenyl)ethylamino]-1-methylpyridin-2-one?
5-[1-(4-tert-butylphenyl)ethylamino]-1-methylpyridin-2-one has a molecular weight of 284.40 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-tert-butylphenyl)ethylamino]-1-methylpyridin-2-one is sourced from PubChem (CID 60930651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).