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

C21H21NO2 — CID 22050258

IUPAC1-benzyl-3-ethyl-4-phenylmethoxypyridin-2-one
SMILESCCc1c(OCc2ccccc2)ccn(Cc2ccccc2)c1=O
InChIInChI=1S/C21H21NO2/c1-2-19-20(24-16-18-11-7-4-8-12-18)13-14-22(21(19)23)15-17-9-5-3-6-10-17/h3-14H,2,15-16H2,1H3
InChIKeyRXBMFMLJAOKYOO-UHFFFAOYSA-N
MW319.40 g/mol
LogP4.04
Rot. Bonds6

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

1-benzyl-3-ethyl-4-phenylmethoxypyridin-2-one (PubChem CID 22050258) has the molecular formula C21H21NO2 and a molecular weight of 319.40 g/mol. Its IUPAC name is 1-benzyl-3-ethyl-4-phenylmethoxypyridin-2-one.

Molecular Properties

Compound Name1-benzyl-3-ethyl-4-phenylmethoxypyridin-2-one
PubChem CID22050258
Molecular FormulaC21H21NO2
Molecular Weight319.40 g/mol
Exact Mass319.16
IUPAC Name1-benzyl-3-ethyl-4-phenylmethoxypyridin-2-one
SMILESCCc1c(OCc2ccccc2)ccn(Cc2ccccc2)c1=O
InChIInChI=1S/C21H21NO2/c1-2-19-20(24-16-18-11-7-4-8-12-18)13-14-22(21(19)23)15-17-9-5-3-6-10-17/h3-14H,2,15-16H2,1H3
InChIKeyRXBMFMLJAOKYOO-UHFFFAOYSA-N
XLogP4.04
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-ethyl-4-phenylmethoxypyridin-2-one?
The IUPAC name of 1-benzyl-3-ethyl-4-phenylmethoxypyridin-2-one (CID 22050258) is 1-benzyl-3-ethyl-4-phenylmethoxypyridin-2-one.
What is the SMILES notation for 1-benzyl-3-ethyl-4-phenylmethoxypyridin-2-one?
The canonical SMILES for 1-benzyl-3-ethyl-4-phenylmethoxypyridin-2-one is CCc1c(OCc2ccccc2)ccn(Cc2ccccc2)c1=O.
What is the InChIKey of 1-benzyl-3-ethyl-4-phenylmethoxypyridin-2-one?
The InChIKey is RXBMFMLJAOKYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2/c1-2-19-20(24-16-18-11-7-4-8-12-18)13-14-22(21(19)23)15-17-9-5-3-6-10-17/h3-14H,2,15-16H2,1H3.
What are the key properties of 1-benzyl-3-ethyl-4-phenylmethoxypyridin-2-one?
1-benzyl-3-ethyl-4-phenylmethoxypyridin-2-one has a molecular weight of 319.40 g/mol, XLogP of 4.04, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-ethyl-4-phenylmethoxypyridin-2-one is sourced from PubChem (CID 22050258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).