1-[4-[2-[benzyl(methyl)amino]ethoxy]phenyl]-4-phenylmethoxypyridin-2-one

C28H28N2O3 — CID 53321223

IUPAC1-[4-[2-[benzyl(methyl)amino]ethoxy]phenyl]-4-phenylmethoxypyridin-2-one
SMILESCN(CCOc1ccc(-n2ccc(OCc3ccccc3)cc2=O)cc1)Cc1ccccc1
InChIInChI=1S/C28H28N2O3/c1-29(21-23-8-4-2-5-9-23)18-19-32-26-14-12-25(13-15-26)30-17-16-27(20-28(30)31)33-22-24-10-6-3-7-11-24/h2-17,20H,18-19,21-22H2,1H3
InChIKeyMGBCOVVRZAHNAM-UHFFFAOYSA-N
MW440.54 g/mol
LogP4.93
Rot. Bonds10

About 1-[4-[2-[benzyl(methyl)amino]ethoxy]phenyl]-4-phenylmethoxypyridin-2-one

1-[4-[2-[benzyl(methyl)amino]ethoxy]phenyl]-4-phenylmethoxypyridin-2-one (PubChem CID 53321223) has the molecular formula C28H28N2O3 and a molecular weight of 440.54 g/mol. Its IUPAC name is 1-[4-[2-[benzyl(methyl)amino]ethoxy]phenyl]-4-phenylmethoxypyridin-2-one.

Molecular Properties

Compound Name1-[4-[2-[benzyl(methyl)amino]ethoxy]phenyl]-4-phenylmethoxypyridin-2-one
PubChem CID53321223
Molecular FormulaC28H28N2O3
Molecular Weight440.54 g/mol
Exact Mass440.21
IUPAC Name1-[4-[2-[benzyl(methyl)amino]ethoxy]phenyl]-4-phenylmethoxypyridin-2-one
SMILESCN(CCOc1ccc(-n2ccc(OCc3ccccc3)cc2=O)cc1)Cc1ccccc1
InChIInChI=1S/C28H28N2O3/c1-29(21-23-8-4-2-5-9-23)18-19-32-26-14-12-25(13-15-26)30-17-16-27(20-28(30)31)33-22-24-10-6-3-7-11-24/h2-17,20H,18-19,21-22H2,1H3
InChIKeyMGBCOVVRZAHNAM-UHFFFAOYSA-N
XLogP4.93
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[benzyl(methyl)amino]ethoxy]phenyl]-4-phenylmethoxypyridin-2-one?
The IUPAC name of 1-[4-[2-[benzyl(methyl)amino]ethoxy]phenyl]-4-phenylmethoxypyridin-2-one (CID 53321223) is 1-[4-[2-[benzyl(methyl)amino]ethoxy]phenyl]-4-phenylmethoxypyridin-2-one.
What is the SMILES notation for 1-[4-[2-[benzyl(methyl)amino]ethoxy]phenyl]-4-phenylmethoxypyridin-2-one?
The canonical SMILES for 1-[4-[2-[benzyl(methyl)amino]ethoxy]phenyl]-4-phenylmethoxypyridin-2-one is CN(CCOc1ccc(-n2ccc(OCc3ccccc3)cc2=O)cc1)Cc1ccccc1.
What is the InChIKey of 1-[4-[2-[benzyl(methyl)amino]ethoxy]phenyl]-4-phenylmethoxypyridin-2-one?
The InChIKey is MGBCOVVRZAHNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O3/c1-29(21-23-8-4-2-5-9-23)18-19-32-26-14-12-25(13-15-26)30-17-16-27(20-28(30)31)33-22-24-10-6-3-7-11-24/h2-17,20H,18-19,21-22H2,1H3.
What are the key properties of 1-[4-[2-[benzyl(methyl)amino]ethoxy]phenyl]-4-phenylmethoxypyridin-2-one?
1-[4-[2-[benzyl(methyl)amino]ethoxy]phenyl]-4-phenylmethoxypyridin-2-one has a molecular weight of 440.54 g/mol, XLogP of 4.93, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[benzyl(methyl)amino]ethoxy]phenyl]-4-phenylmethoxypyridin-2-one is sourced from PubChem (CID 53321223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).