3-methyl-1-[2-(methylamino)-2-(4-propylphenyl)ethyl]pyridin-2-one

C18H24N2O — CID 63172597

IUPAC3-methyl-1-[2-(methylamino)-2-(4-propylphenyl)ethyl]pyridin-2-one
SMILESCCCc1ccc(C(Cn2cccc(C)c2=O)NC)cc1
InChIInChI=1S/C18H24N2O/c1-4-6-15-8-10-16(11-9-15)17(19-3)13-20-12-5-7-14(2)18(20)21/h5,7-12,17,19H,4,6,13H2,1-3H3
InChIKeyZUMAPPSFDOHVSC-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.07
Rot. Bonds6

About 3-methyl-1-[2-(methylamino)-2-(4-propylphenyl)ethyl]pyridin-2-one

3-methyl-1-[2-(methylamino)-2-(4-propylphenyl)ethyl]pyridin-2-one (PubChem CID 63172597) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 3-methyl-1-[2-(methylamino)-2-(4-propylphenyl)ethyl]pyridin-2-one.

Molecular Properties

Compound Name3-methyl-1-[2-(methylamino)-2-(4-propylphenyl)ethyl]pyridin-2-one
PubChem CID63172597
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name3-methyl-1-[2-(methylamino)-2-(4-propylphenyl)ethyl]pyridin-2-one
SMILESCCCc1ccc(C(Cn2cccc(C)c2=O)NC)cc1
InChIInChI=1S/C18H24N2O/c1-4-6-15-8-10-16(11-9-15)17(19-3)13-20-12-5-7-14(2)18(20)21/h5,7-12,17,19H,4,6,13H2,1-3H3
InChIKeyZUMAPPSFDOHVSC-UHFFFAOYSA-N
XLogP3.07
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(methylamino)-2-(4-propylphenyl)ethyl]pyridin-4-one
CID 62880658
3-methyl-1-[2-(methylamino)pentyl]pyridin-2-one
CID 63172866
1-[2-(ethylamino)-2-(2-methylphenyl)ethyl]-3-methylpyridin-2-one
CID 63172375
N,3,3-trimethyl-1-(4-propylphenyl)butan-1-amine
CID 43484923
2-(methylamino)-2-(4-propylphenyl)ethanethiol
CID 116830608
2-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methyl-1-(4-propylphenyl)ethanamine
CID 83219356
ethane;3-methyl-1-propylpyridin-2-one
CID 177013538
1-[2-(bromomethyl)butyl]-3-methylpyridin-2-one
CID 64995196
1-[2-(4-ethylphenyl)-2-(methylamino)ethyl]-3-propan-2-ylimidazol-2-one
CID 80579849
N-methyl-N'-propan-2-yl-1-(4-propylphenyl)ethane-1,2-diamine
CID 116950451
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]-3-methylpyridin-2-one
CID 63172847
N,3,3-trimethyl-1-(4-propylphenyl)butane-1,4-diamine
CID 116950082

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-(methylamino)-2-(4-propylphenyl)ethyl]pyridin-2-one?
The IUPAC name of 3-methyl-1-[2-(methylamino)-2-(4-propylphenyl)ethyl]pyridin-2-one (CID 63172597) is 3-methyl-1-[2-(methylamino)-2-(4-propylphenyl)ethyl]pyridin-2-one.
What is the SMILES notation for 3-methyl-1-[2-(methylamino)-2-(4-propylphenyl)ethyl]pyridin-2-one?
The canonical SMILES for 3-methyl-1-[2-(methylamino)-2-(4-propylphenyl)ethyl]pyridin-2-one is CCCc1ccc(C(Cn2cccc(C)c2=O)NC)cc1.
What is the InChIKey of 3-methyl-1-[2-(methylamino)-2-(4-propylphenyl)ethyl]pyridin-2-one?
The InChIKey is ZUMAPPSFDOHVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-4-6-15-8-10-16(11-9-15)17(19-3)13-20-12-5-7-14(2)18(20)21/h5,7-12,17,19H,4,6,13H2,1-3H3.
What are the key properties of 3-methyl-1-[2-(methylamino)-2-(4-propylphenyl)ethyl]pyridin-2-one?
3-methyl-1-[2-(methylamino)-2-(4-propylphenyl)ethyl]pyridin-2-one has a molecular weight of 284.40 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-(methylamino)-2-(4-propylphenyl)ethyl]pyridin-2-one is sourced from PubChem (CID 63172597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).