2-methyl-1-(4-phenylbutyl)-3-phenylmethoxypyridin-4-one

C23H25NO2 — CID 164615660

IUPAC2-methyl-1-(4-phenylbutyl)-3-phenylmethoxypyridin-4-one
SMILESCc1c(OCc2ccccc2)c(=O)ccn1CCCCc1ccccc1
InChIInChI=1S/C23H25NO2/c1-19-23(26-18-21-13-6-3-7-14-21)22(25)15-17-24(19)16-9-8-12-20-10-4-2-5-11-20/h2-7,10-11,13-15,17H,8-9,12,16,18H2,1H3
InChIKeyKIRUUXTVXSNVJZ-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.76
Rot. Bonds8

About 2-methyl-1-(4-phenylbutyl)-3-phenylmethoxypyridin-4-one

2-methyl-1-(4-phenylbutyl)-3-phenylmethoxypyridin-4-one (PubChem CID 164615660) has the molecular formula C23H25NO2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-methyl-1-(4-phenylbutyl)-3-phenylmethoxypyridin-4-one.

Molecular Properties

Compound Name2-methyl-1-(4-phenylbutyl)-3-phenylmethoxypyridin-4-one
PubChem CID164615660
Molecular FormulaC23H25NO2
Molecular Weight347.46 g/mol
Exact Mass347.19
IUPAC Name2-methyl-1-(4-phenylbutyl)-3-phenylmethoxypyridin-4-one
SMILESCc1c(OCc2ccccc2)c(=O)ccn1CCCCc1ccccc1
InChIInChI=1S/C23H25NO2/c1-19-23(26-18-21-13-6-3-7-14-21)22(25)15-17-24(19)16-9-8-12-20-10-4-2-5-11-20/h2-7,10-11,13-15,17H,8-9,12,16,18H2,1H3
InChIKeyKIRUUXTVXSNVJZ-UHFFFAOYSA-N
XLogP4.76
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 90335
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CID 14956281
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CID 11139785
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CID 3623031
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CID 3818708
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CID 14956282
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CID 14956289
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-phenylbutyl)-3-phenylmethoxypyridin-4-one?
The IUPAC name of 2-methyl-1-(4-phenylbutyl)-3-phenylmethoxypyridin-4-one (CID 164615660) is 2-methyl-1-(4-phenylbutyl)-3-phenylmethoxypyridin-4-one.
What is the SMILES notation for 2-methyl-1-(4-phenylbutyl)-3-phenylmethoxypyridin-4-one?
The canonical SMILES for 2-methyl-1-(4-phenylbutyl)-3-phenylmethoxypyridin-4-one is Cc1c(OCc2ccccc2)c(=O)ccn1CCCCc1ccccc1.
What is the InChIKey of 2-methyl-1-(4-phenylbutyl)-3-phenylmethoxypyridin-4-one?
The InChIKey is KIRUUXTVXSNVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO2/c1-19-23(26-18-21-13-6-3-7-14-21)22(25)15-17-24(19)16-9-8-12-20-10-4-2-5-11-20/h2-7,10-11,13-15,17H,8-9,12,16,18H2,1H3.
What are the key properties of 2-methyl-1-(4-phenylbutyl)-3-phenylmethoxypyridin-4-one?
2-methyl-1-(4-phenylbutyl)-3-phenylmethoxypyridin-4-one has a molecular weight of 347.46 g/mol, XLogP of 4.76, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-phenylbutyl)-3-phenylmethoxypyridin-4-one is sourced from PubChem (CID 164615660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).