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

C24H28N2O3 — CID 11596311

IUPAC1-[4-[2-(diethylamino)ethoxy]phenyl]-4-phenylmethoxypyridin-2-one
SMILESCCN(CC)CCOc1ccc(-n2ccc(OCc3ccccc3)cc2=O)cc1
InChIInChI=1S/C24H28N2O3/c1-3-25(4-2)16-17-28-22-12-10-21(11-13-22)26-15-14-23(18-24(26)27)29-19-20-8-6-5-7-9-20/h5-15,18H,3-4,16-17,19H2,1-2H3
InChIKeyBZUVXLPHVGFEJA-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.14
Rot. Bonds10

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

1-[4-[2-(diethylamino)ethoxy]phenyl]-4-phenylmethoxypyridin-2-one (PubChem CID 11596311) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is 1-[4-[2-(diethylamino)ethoxy]phenyl]-4-phenylmethoxypyridin-2-one.

Molecular Properties

Compound Name1-[4-[2-(diethylamino)ethoxy]phenyl]-4-phenylmethoxypyridin-2-one
PubChem CID11596311
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name1-[4-[2-(diethylamino)ethoxy]phenyl]-4-phenylmethoxypyridin-2-one
SMILESCCN(CC)CCOc1ccc(-n2ccc(OCc3ccccc3)cc2=O)cc1
InChIInChI=1S/C24H28N2O3/c1-3-25(4-2)16-17-28-22-12-10-21(11-13-22)26-15-14-23(18-24(26)27)29-19-20-8-6-5-7-9-20/h5-15,18H,3-4,16-17,19H2,1-2H3
InChIKeyBZUVXLPHVGFEJA-UHFFFAOYSA-N
XLogP4.14
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(diethylamino)ethoxy]phenyl]-4-phenylmethoxypyridin-2-one?
The IUPAC name of 1-[4-[2-(diethylamino)ethoxy]phenyl]-4-phenylmethoxypyridin-2-one (CID 11596311) is 1-[4-[2-(diethylamino)ethoxy]phenyl]-4-phenylmethoxypyridin-2-one.
What is the SMILES notation for 1-[4-[2-(diethylamino)ethoxy]phenyl]-4-phenylmethoxypyridin-2-one?
The canonical SMILES for 1-[4-[2-(diethylamino)ethoxy]phenyl]-4-phenylmethoxypyridin-2-one is CCN(CC)CCOc1ccc(-n2ccc(OCc3ccccc3)cc2=O)cc1.
What is the InChIKey of 1-[4-[2-(diethylamino)ethoxy]phenyl]-4-phenylmethoxypyridin-2-one?
The InChIKey is BZUVXLPHVGFEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-3-25(4-2)16-17-28-22-12-10-21(11-13-22)26-15-14-23(18-24(26)27)29-19-20-8-6-5-7-9-20/h5-15,18H,3-4,16-17,19H2,1-2H3.
What are the key properties of 1-[4-[2-(diethylamino)ethoxy]phenyl]-4-phenylmethoxypyridin-2-one?
1-[4-[2-(diethylamino)ethoxy]phenyl]-4-phenylmethoxypyridin-2-one has a molecular weight of 392.50 g/mol, XLogP of 4.14, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(diethylamino)ethoxy]phenyl]-4-phenylmethoxypyridin-2-one is sourced from PubChem (CID 11596311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).