1-[4-[2-(dimethylamino)ethoxy]phenyl]-4-phenylmethoxypyridin-2-one

C22H24N2O3 — CID 11559625

IUPAC1-[4-[2-(dimethylamino)ethoxy]phenyl]-4-phenylmethoxypyridin-2-one
SMILESCN(C)CCOc1ccc(-n2ccc(OCc3ccccc3)cc2=O)cc1
InChIInChI=1S/C22H24N2O3/c1-23(2)14-15-26-20-10-8-19(9-11-20)24-13-12-21(16-22(24)25)27-17-18-6-4-3-5-7-18/h3-13,16H,14-15,17H2,1-2H3
InChIKeyAITUVWNTUJSLMG-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.36
Rot. Bonds8

About 1-[4-[2-(dimethylamino)ethoxy]phenyl]-4-phenylmethoxypyridin-2-one

1-[4-[2-(dimethylamino)ethoxy]phenyl]-4-phenylmethoxypyridin-2-one (PubChem CID 11559625) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-[4-[2-(dimethylamino)ethoxy]phenyl]-4-phenylmethoxypyridin-2-one.

Molecular Properties

Compound Name1-[4-[2-(dimethylamino)ethoxy]phenyl]-4-phenylmethoxypyridin-2-one
PubChem CID11559625
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name1-[4-[2-(dimethylamino)ethoxy]phenyl]-4-phenylmethoxypyridin-2-one
SMILESCN(C)CCOc1ccc(-n2ccc(OCc3ccccc3)cc2=O)cc1
InChIInChI=1S/C22H24N2O3/c1-23(2)14-15-26-20-10-8-19(9-11-20)24-13-12-21(16-22(24)25)27-17-18-6-4-3-5-7-18/h3-13,16H,14-15,17H2,1-2H3
InChIKeyAITUVWNTUJSLMG-UHFFFAOYSA-N
XLogP3.36
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(dimethylamino)ethoxy]phenyl]-4-phenylmethoxypyridin-2-one?
The IUPAC name of 1-[4-[2-(dimethylamino)ethoxy]phenyl]-4-phenylmethoxypyridin-2-one (CID 11559625) is 1-[4-[2-(dimethylamino)ethoxy]phenyl]-4-phenylmethoxypyridin-2-one.
What is the SMILES notation for 1-[4-[2-(dimethylamino)ethoxy]phenyl]-4-phenylmethoxypyridin-2-one?
The canonical SMILES for 1-[4-[2-(dimethylamino)ethoxy]phenyl]-4-phenylmethoxypyridin-2-one is CN(C)CCOc1ccc(-n2ccc(OCc3ccccc3)cc2=O)cc1.
What is the InChIKey of 1-[4-[2-(dimethylamino)ethoxy]phenyl]-4-phenylmethoxypyridin-2-one?
The InChIKey is AITUVWNTUJSLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-23(2)14-15-26-20-10-8-19(9-11-20)24-13-12-21(16-22(24)25)27-17-18-6-4-3-5-7-18/h3-13,16H,14-15,17H2,1-2H3.
What are the key properties of 1-[4-[2-(dimethylamino)ethoxy]phenyl]-4-phenylmethoxypyridin-2-one?
1-[4-[2-(dimethylamino)ethoxy]phenyl]-4-phenylmethoxypyridin-2-one has a molecular weight of 364.45 g/mol, XLogP of 3.36, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(dimethylamino)ethoxy]phenyl]-4-phenylmethoxypyridin-2-one is sourced from PubChem (CID 11559625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).