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

C24H27NO5 — CID 84572393

IUPAC1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-(3-phenoxypropoxy)pyridin-4-one
SMILESCOc1ccc(OCCn2ccc(=O)c(OCCCOc3ccccc3)c2C)cc1
InChIInChI=1S/C24H27NO5/c1-19-24(30-17-6-16-28-21-7-4-3-5-8-21)23(26)13-14-25(19)15-18-29-22-11-9-20(27-2)10-12-22/h3-5,7-14H,6,15-18H2,1-2H3
InChIKeyQBDKLCYGQGJYSR-UHFFFAOYSA-N
MW409.48 g/mol
LogP4.09
Rot. Bonds11

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

1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-(3-phenoxypropoxy)pyridin-4-one (PubChem CID 84572393) has the molecular formula C24H27NO5 and a molecular weight of 409.48 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-(3-phenoxypropoxy)pyridin-4-one.

Molecular Properties

Compound Name1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-(3-phenoxypropoxy)pyridin-4-one
PubChem CID84572393
Molecular FormulaC24H27NO5
Molecular Weight409.48 g/mol
Exact Mass409.19
IUPAC Name1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-(3-phenoxypropoxy)pyridin-4-one
SMILESCOc1ccc(OCCn2ccc(=O)c(OCCCOc3ccccc3)c2C)cc1
InChIInChI=1S/C24H27NO5/c1-19-24(30-17-6-16-28-21-7-4-3-5-8-21)23(26)13-14-25(19)15-18-29-22-11-9-20(27-2)10-12-22/h3-5,7-14H,6,15-18H2,1-2H3
InChIKeyQBDKLCYGQGJYSR-UHFFFAOYSA-N
XLogP4.09
TPSA58.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.48
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-phenoxypropoxy)pyridin-4-one?
The IUPAC name of 1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-(3-phenoxypropoxy)pyridin-4-one (CID 84572393) is 1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-(3-phenoxypropoxy)pyridin-4-one.
What is the SMILES notation for 1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-(3-phenoxypropoxy)pyridin-4-one?
The canonical SMILES for 1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-(3-phenoxypropoxy)pyridin-4-one is COc1ccc(OCCn2ccc(=O)c(OCCCOc3ccccc3)c2C)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-(3-phenoxypropoxy)pyridin-4-one?
The InChIKey is QBDKLCYGQGJYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO5/c1-19-24(30-17-6-16-28-21-7-4-3-5-8-21)23(26)13-14-25(19)15-18-29-22-11-9-20(27-2)10-12-22/h3-5,7-14H,6,15-18H2,1-2H3.
What are the key properties of 1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-(3-phenoxypropoxy)pyridin-4-one?
1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-(3-phenoxypropoxy)pyridin-4-one has a molecular weight of 409.48 g/mol, XLogP of 4.09, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-(3-phenoxypropoxy)pyridin-4-one is sourced from PubChem (CID 84572393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).