1-[[2-methyl-3-(methylamino)phenyl]methyl]-4-phenylmethoxypyridin-2-one

C21H22N2O2 — CID 141168771

IUPAC1-[[2-methyl-3-(methylamino)phenyl]methyl]-4-phenylmethoxypyridin-2-one
SMILESCNc1cccc(Cn2ccc(OCc3ccccc3)cc2=O)c1C
InChIInChI=1S/C21H22N2O2/c1-16-18(9-6-10-20(16)22-2)14-23-12-11-19(13-21(23)24)25-15-17-7-4-3-5-8-17/h3-13,22H,14-15H2,1-2H3
InChIKeyZVIZESYEHYDLHL-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.83
Rot. Bonds6

About 1-[[2-methyl-3-(methylamino)phenyl]methyl]-4-phenylmethoxypyridin-2-one

1-[[2-methyl-3-(methylamino)phenyl]methyl]-4-phenylmethoxypyridin-2-one (PubChem CID 141168771) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-[[2-methyl-3-(methylamino)phenyl]methyl]-4-phenylmethoxypyridin-2-one.

Molecular Properties

Compound Name1-[[2-methyl-3-(methylamino)phenyl]methyl]-4-phenylmethoxypyridin-2-one
PubChem CID141168771
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name1-[[2-methyl-3-(methylamino)phenyl]methyl]-4-phenylmethoxypyridin-2-one
SMILESCNc1cccc(Cn2ccc(OCc3ccccc3)cc2=O)c1C
InChIInChI=1S/C21H22N2O2/c1-16-18(9-6-10-20(16)22-2)14-23-12-11-19(13-21(23)24)25-15-17-7-4-3-5-8-17/h3-13,22H,14-15H2,1-2H3
InChIKeyZVIZESYEHYDLHL-UHFFFAOYSA-N
XLogP3.83
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-ethylphenyl)ethyl]-4-phenylmethoxypyridin-2-one
CID 91337677
4-phenylmethoxy-1-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-one
CID 22050640
1-[(3-fluoro-2-methylphenyl)methyl]-4-pentoxypyridin-2-one
CID 16657801
1-[(2,4-dichlorophenyl)methyl]-4-[(4-methylphenyl)methoxy]pyridin-2-one
CID 16657539
4-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]pyridin-2-one
CID 22050569
N,2-dimethyl-4-phenylmethoxyaniline;2-methyl-4-phenylmethoxyaniline
CID 158131264
1-[2-[2-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one
CID 71730920
1-(4-iodo-3-methylphenyl)-4-phenylmethoxypyridin-2-one
CID 143591111
1-(4-bromophenyl)-4-phenylmethoxypyridin-2-one
CID 59187025
1-[4-[2-(dimethylamino)ethylamino]phenyl]-4-phenylmethoxypyridin-2-one
CID 24780171
1-[2-[4-(morpholin-4-ylmethyl)phenyl]propyl]-4-phenylmethoxypyridin-2-one
CID 25029072
4-phenylmethoxy-1-[4-(propylamino)phenyl]pyridin-2-one
CID 24780169

Frequently Asked Questions

What is the IUPAC name of 1-[[2-methyl-3-(methylamino)phenyl]methyl]-4-phenylmethoxypyridin-2-one?
The IUPAC name of 1-[[2-methyl-3-(methylamino)phenyl]methyl]-4-phenylmethoxypyridin-2-one (CID 141168771) is 1-[[2-methyl-3-(methylamino)phenyl]methyl]-4-phenylmethoxypyridin-2-one.
What is the SMILES notation for 1-[[2-methyl-3-(methylamino)phenyl]methyl]-4-phenylmethoxypyridin-2-one?
The canonical SMILES for 1-[[2-methyl-3-(methylamino)phenyl]methyl]-4-phenylmethoxypyridin-2-one is CNc1cccc(Cn2ccc(OCc3ccccc3)cc2=O)c1C.
What is the InChIKey of 1-[[2-methyl-3-(methylamino)phenyl]methyl]-4-phenylmethoxypyridin-2-one?
The InChIKey is ZVIZESYEHYDLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-16-18(9-6-10-20(16)22-2)14-23-12-11-19(13-21(23)24)25-15-17-7-4-3-5-8-17/h3-13,22H,14-15H2,1-2H3.
What are the key properties of 1-[[2-methyl-3-(methylamino)phenyl]methyl]-4-phenylmethoxypyridin-2-one?
1-[[2-methyl-3-(methylamino)phenyl]methyl]-4-phenylmethoxypyridin-2-one has a molecular weight of 334.42 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-methyl-3-(methylamino)phenyl]methyl]-4-phenylmethoxypyridin-2-one is sourced from PubChem (CID 141168771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).