2-[[4-[4-(dimethylamino)phenyl]anilino]methyl]-6-ethyl-3-hydroxypyran-4-one

C22H24N2O3 — CID 123667818

IUPAC2-[[4-[4-(dimethylamino)phenyl]anilino]methyl]-6-ethyl-3-hydroxypyran-4-one
SMILESCCc1cc(=O)c(O)c(CNc2ccc(-c3ccc(N(C)C)cc3)cc2)o1
InChIInChI=1S/C22H24N2O3/c1-4-19-13-20(25)22(26)21(27-19)14-23-17-9-5-15(6-10-17)16-7-11-18(12-8-16)24(2)3/h5-13,23,26H,4,14H2,1-3H3
InChIKeyLHDHUUNGLUFGLA-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.25
Rot. Bonds6

About 2-[[4-[4-(dimethylamino)phenyl]anilino]methyl]-6-ethyl-3-hydroxypyran-4-one

2-[[4-[4-(dimethylamino)phenyl]anilino]methyl]-6-ethyl-3-hydroxypyran-4-one (PubChem CID 123667818) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-[[4-[4-(dimethylamino)phenyl]anilino]methyl]-6-ethyl-3-hydroxypyran-4-one.

Molecular Properties

Compound Name2-[[4-[4-(dimethylamino)phenyl]anilino]methyl]-6-ethyl-3-hydroxypyran-4-one
PubChem CID123667818
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name2-[[4-[4-(dimethylamino)phenyl]anilino]methyl]-6-ethyl-3-hydroxypyran-4-one
SMILESCCc1cc(=O)c(O)c(CNc2ccc(-c3ccc(N(C)C)cc3)cc2)o1
InChIInChI=1S/C22H24N2O3/c1-4-19-13-20(25)22(26)21(27-19)14-23-17-9-5-15(6-10-17)16-7-11-18(12-8-16)24(2)3/h5-13,23,26H,4,14H2,1-3H3
InChIKeyLHDHUUNGLUFGLA-UHFFFAOYSA-N
XLogP4.25
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-((4-oxo-6-((4-phenylpiperazin-1-yl)methyl)-4H-pyran-3-yl)oxy)-N-(p-tolyl)acetamide
CID 18575668
N-(4-ethylphenyl)-2-((4-oxo-6-((4-phenylpiperazin-1-yl)methyl)-4H-pyran-3-yl)oxy)acetamide
CID 18575672
5-Hydroxy-2-methyl-1-(4-phenylphenyl)pyridin-4-one
CID 130424161
2-((6-((4-benzylpiperazin-1-yl)methyl)-4-oxo-4H-pyran-3-yl)oxy)-N-(p-tolyl)acetamide
CID 18575667
2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-5-hydroxy-1H-pyridin-4-one
CID 137654189
2-(2-Aminoethyl)-5-hydroxy-1-(3-phenylphenyl)pyridin-4-one
CID 118736610
3-Hydroxy-6-methyl-2-[[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]pyran-4-one
CID 71591056
2-[(4-Toluidino)methyl]-5-hydroxy-1-methylpyridin-4(1h)-one
CID 129885913
3-Hydroxy-2-ethyl-1-4methylphenyl pyridin-4-one
CID 139055912
3-Hydroxy-6-methyl-2-[[4-(o-tolyl)piperazin-1-yl]methyl]pyran-4-one
CID 71590993
3-Hydroxy-6-methyl-2-[[4-(p-tolyl)piperazin-1-yl]methyl]pyran-4-one
CID 71591024
4-[4-[(3-Hydroxy-6-methyl-4-oxo-pyran-2-yl)methyl]piperazin-1-yl]benzonitrile
CID 71591057

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[4-(dimethylamino)phenyl]anilino]methyl]-6-ethyl-3-hydroxypyran-4-one?
The IUPAC name of 2-[[4-[4-(dimethylamino)phenyl]anilino]methyl]-6-ethyl-3-hydroxypyran-4-one (CID 123667818) is 2-[[4-[4-(dimethylamino)phenyl]anilino]methyl]-6-ethyl-3-hydroxypyran-4-one.
What is the SMILES notation for 2-[[4-[4-(dimethylamino)phenyl]anilino]methyl]-6-ethyl-3-hydroxypyran-4-one?
The canonical SMILES for 2-[[4-[4-(dimethylamino)phenyl]anilino]methyl]-6-ethyl-3-hydroxypyran-4-one is CCc1cc(=O)c(O)c(CNc2ccc(-c3ccc(N(C)C)cc3)cc2)o1.
What is the InChIKey of 2-[[4-[4-(dimethylamino)phenyl]anilino]methyl]-6-ethyl-3-hydroxypyran-4-one?
The InChIKey is LHDHUUNGLUFGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-4-19-13-20(25)22(26)21(27-19)14-23-17-9-5-15(6-10-17)16-7-11-18(12-8-16)24(2)3/h5-13,23,26H,4,14H2,1-3H3.
What are the key properties of 2-[[4-[4-(dimethylamino)phenyl]anilino]methyl]-6-ethyl-3-hydroxypyran-4-one?
2-[[4-[4-(dimethylamino)phenyl]anilino]methyl]-6-ethyl-3-hydroxypyran-4-one has a molecular weight of 364.45 g/mol, XLogP of 4.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[4-(dimethylamino)phenyl]anilino]methyl]-6-ethyl-3-hydroxypyran-4-one is sourced from PubChem (CID 123667818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).