1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-(3-phenylpropoxy)pyridin-4-one

C24H27NO4 — CID 84572379

IUPAC1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-(3-phenylpropoxy)pyridin-4-one
SMILESCOc1ccc(OCCn2ccc(=O)c(OCCCc3ccccc3)c2C)cc1
InChIInChI=1S/C24H27NO4/c1-19-24(29-17-6-9-20-7-4-3-5-8-20)23(26)14-15-25(19)16-18-28-22-12-10-21(27-2)11-13-22/h3-5,7-8,10-15H,6,9,16-18H2,1-2H3
InChIKeyRJSMHKFIDWRUGG-UHFFFAOYSA-N
MW393.48 g/mol
LogP4.26
Rot. Bonds10

About 1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-(3-phenylpropoxy)pyridin-4-one

1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-(3-phenylpropoxy)pyridin-4-one (PubChem CID 84572379) has the molecular formula C24H27NO4 and a molecular weight of 393.48 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-(3-phenylpropoxy)pyridin-4-one.

Molecular Properties

Compound Name1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-(3-phenylpropoxy)pyridin-4-one
PubChem CID84572379
Molecular FormulaC24H27NO4
Molecular Weight393.48 g/mol
Exact Mass393.19
IUPAC Name1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-(3-phenylpropoxy)pyridin-4-one
SMILESCOc1ccc(OCCn2ccc(=O)c(OCCCc3ccccc3)c2C)cc1
InChIInChI=1S/C24H27NO4/c1-19-24(29-17-6-9-20-7-4-3-5-8-20)23(26)14-15-25(19)16-18-28-22-12-10-21(27-2)11-13-22/h3-5,7-8,10-15H,6,9,16-18H2,1-2H3
InChIKeyRJSMHKFIDWRUGG-UHFFFAOYSA-N
XLogP4.26
TPSA49.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-(3-phenylpropoxy)pyridin-4-one?
The IUPAC name of 1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-(3-phenylpropoxy)pyridin-4-one (CID 84572379) is 1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-(3-phenylpropoxy)pyridin-4-one.
What is the SMILES notation for 1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-(3-phenylpropoxy)pyridin-4-one?
The canonical SMILES for 1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-(3-phenylpropoxy)pyridin-4-one is COc1ccc(OCCn2ccc(=O)c(OCCCc3ccccc3)c2C)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-(3-phenylpropoxy)pyridin-4-one?
The InChIKey is RJSMHKFIDWRUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO4/c1-19-24(29-17-6-9-20-7-4-3-5-8-20)23(26)14-15-25(19)16-18-28-22-12-10-21(27-2)11-13-22/h3-5,7-8,10-15H,6,9,16-18H2,1-2H3.
What are the key properties of 1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-(3-phenylpropoxy)pyridin-4-one?
1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-(3-phenylpropoxy)pyridin-4-one has a molecular weight of 393.48 g/mol, XLogP of 4.26, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-(3-phenylpropoxy)pyridin-4-one is sourced from PubChem (CID 84572379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).