1-benzyl-3-methyl-4-phenylmethoxypyridin-2-one

C20H19NO2 — CID 10193155

IUPAC1-benzyl-3-methyl-4-phenylmethoxypyridin-2-one
SMILESCc1c(OCc2ccccc2)ccn(Cc2ccccc2)c1=O
InChIInChI=1S/C20H19NO2/c1-16-19(23-15-18-10-6-3-7-11-18)12-13-21(20(16)22)14-17-8-4-2-5-9-17/h2-13H,14-15H2,1H3
InChIKeyXTYDPQGEIHWUMF-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.78
Rot. Bonds5

About 1-benzyl-3-methyl-4-phenylmethoxypyridin-2-one

1-benzyl-3-methyl-4-phenylmethoxypyridin-2-one (PubChem CID 10193155) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 1-benzyl-3-methyl-4-phenylmethoxypyridin-2-one.

Molecular Properties

Compound Name1-benzyl-3-methyl-4-phenylmethoxypyridin-2-one
PubChem CID10193155
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Name1-benzyl-3-methyl-4-phenylmethoxypyridin-2-one
SMILESCc1c(OCc2ccccc2)ccn(Cc2ccccc2)c1=O
InChIInChI=1S/C20H19NO2/c1-16-19(23-15-18-10-6-3-7-11-18)12-13-21(20(16)22)14-17-8-4-2-5-9-17/h2-13H,14-15H2,1H3
InChIKeyXTYDPQGEIHWUMF-UHFFFAOYSA-N
XLogP3.78
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-methyl-4-phenylmethoxypyridin-2-one?
The IUPAC name of 1-benzyl-3-methyl-4-phenylmethoxypyridin-2-one (CID 10193155) is 1-benzyl-3-methyl-4-phenylmethoxypyridin-2-one.
What is the SMILES notation for 1-benzyl-3-methyl-4-phenylmethoxypyridin-2-one?
The canonical SMILES for 1-benzyl-3-methyl-4-phenylmethoxypyridin-2-one is Cc1c(OCc2ccccc2)ccn(Cc2ccccc2)c1=O.
What is the InChIKey of 1-benzyl-3-methyl-4-phenylmethoxypyridin-2-one?
The InChIKey is XTYDPQGEIHWUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2/c1-16-19(23-15-18-10-6-3-7-11-18)12-13-21(20(16)22)14-17-8-4-2-5-9-17/h2-13H,14-15H2,1H3.
What are the key properties of 1-benzyl-3-methyl-4-phenylmethoxypyridin-2-one?
1-benzyl-3-methyl-4-phenylmethoxypyridin-2-one has a molecular weight of 305.38 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-methyl-4-phenylmethoxypyridin-2-one is sourced from PubChem (CID 10193155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).