1-[2-[2-methyl-4-(methylaminomethyl)phenyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one

C23H24N2O3 — CID 71730919

IUPAC1-[2-[2-methyl-4-(methylaminomethyl)phenyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one
SMILESCNCc1ccc(C(=O)Cn2ccc(OCc3ccccc3)cc2=O)c(C)c1
InChIInChI=1S/C23H24N2O3/c1-17-12-19(14-24-2)8-9-21(17)22(26)15-25-11-10-20(13-23(25)27)28-16-18-6-4-3-5-7-18/h3-13,24H,14-16H2,1-2H3
InChIKeyWJVBEYXQECLHFH-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.34
Rot. Bonds8

About 1-[2-[2-methyl-4-(methylaminomethyl)phenyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one

1-[2-[2-methyl-4-(methylaminomethyl)phenyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one (PubChem CID 71730919) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-[2-[2-methyl-4-(methylaminomethyl)phenyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one.

Molecular Properties

Compound Name1-[2-[2-methyl-4-(methylaminomethyl)phenyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one
PubChem CID71730919
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name1-[2-[2-methyl-4-(methylaminomethyl)phenyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one
SMILESCNCc1ccc(C(=O)Cn2ccc(OCc3ccccc3)cc2=O)c(C)c1
InChIInChI=1S/C23H24N2O3/c1-17-12-19(14-24-2)8-9-21(17)22(26)15-25-11-10-20(13-23(25)27)28-16-18-6-4-3-5-7-18/h3-13,24H,14-16H2,1-2H3
InChIKeyWJVBEYXQECLHFH-UHFFFAOYSA-N
XLogP3.34
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-methyl-4-(methylaminomethyl)phenyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one?
The IUPAC name of 1-[2-[2-methyl-4-(methylaminomethyl)phenyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one (CID 71730919) is 1-[2-[2-methyl-4-(methylaminomethyl)phenyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one.
What is the SMILES notation for 1-[2-[2-methyl-4-(methylaminomethyl)phenyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one?
The canonical SMILES for 1-[2-[2-methyl-4-(methylaminomethyl)phenyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one is CNCc1ccc(C(=O)Cn2ccc(OCc3ccccc3)cc2=O)c(C)c1.
What is the InChIKey of 1-[2-[2-methyl-4-(methylaminomethyl)phenyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one?
The InChIKey is WJVBEYXQECLHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-17-12-19(14-24-2)8-9-21(17)22(26)15-25-11-10-20(13-23(25)27)28-16-18-6-4-3-5-7-18/h3-13,24H,14-16H2,1-2H3.
What are the key properties of 1-[2-[2-methyl-4-(methylaminomethyl)phenyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one?
1-[2-[2-methyl-4-(methylaminomethyl)phenyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one has a molecular weight of 376.46 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-methyl-4-(methylaminomethyl)phenyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one is sourced from PubChem (CID 71730919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).