1-[4-[1-(dimethylamino)propan-2-yloxy]phenyl]-4-phenylmethoxypyridin-2-one

C23H26N2O3 — CID 53325165

IUPAC1-[4-[1-(dimethylamino)propan-2-yloxy]phenyl]-4-phenylmethoxypyridin-2-one
SMILESCC(CN(C)C)Oc1ccc(-n2ccc(OCc3ccccc3)cc2=O)cc1
InChIInChI=1S/C23H26N2O3/c1-18(16-24(2)3)28-21-11-9-20(10-12-21)25-14-13-22(15-23(25)26)27-17-19-7-5-4-6-8-19/h4-15,18H,16-17H2,1-3H3
InChIKeyQSOJLEDJFIANLS-UHFFFAOYSA-N
MW378.47 g/mol
LogP3.75
Rot. Bonds8

About 1-[4-[1-(dimethylamino)propan-2-yloxy]phenyl]-4-phenylmethoxypyridin-2-one

1-[4-[1-(dimethylamino)propan-2-yloxy]phenyl]-4-phenylmethoxypyridin-2-one (PubChem CID 53325165) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is 1-[4-[1-(dimethylamino)propan-2-yloxy]phenyl]-4-phenylmethoxypyridin-2-one.

Molecular Properties

Compound Name1-[4-[1-(dimethylamino)propan-2-yloxy]phenyl]-4-phenylmethoxypyridin-2-one
PubChem CID53325165
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name1-[4-[1-(dimethylamino)propan-2-yloxy]phenyl]-4-phenylmethoxypyridin-2-one
SMILESCC(CN(C)C)Oc1ccc(-n2ccc(OCc3ccccc3)cc2=O)cc1
InChIInChI=1S/C23H26N2O3/c1-18(16-24(2)3)28-21-11-9-20(10-12-21)25-14-13-22(15-23(25)26)27-17-19-7-5-4-6-8-19/h4-15,18H,16-17H2,1-3H3
InChIKeyQSOJLEDJFIANLS-UHFFFAOYSA-N
XLogP3.75
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(dimethylamino)propan-2-yloxy]phenyl]-4-phenylmethoxypyridin-2-one?
The IUPAC name of 1-[4-[1-(dimethylamino)propan-2-yloxy]phenyl]-4-phenylmethoxypyridin-2-one (CID 53325165) is 1-[4-[1-(dimethylamino)propan-2-yloxy]phenyl]-4-phenylmethoxypyridin-2-one.
What is the SMILES notation for 1-[4-[1-(dimethylamino)propan-2-yloxy]phenyl]-4-phenylmethoxypyridin-2-one?
The canonical SMILES for 1-[4-[1-(dimethylamino)propan-2-yloxy]phenyl]-4-phenylmethoxypyridin-2-one is CC(CN(C)C)Oc1ccc(-n2ccc(OCc3ccccc3)cc2=O)cc1.
What is the InChIKey of 1-[4-[1-(dimethylamino)propan-2-yloxy]phenyl]-4-phenylmethoxypyridin-2-one?
The InChIKey is QSOJLEDJFIANLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-18(16-24(2)3)28-21-11-9-20(10-12-21)25-14-13-22(15-23(25)26)27-17-19-7-5-4-6-8-19/h4-15,18H,16-17H2,1-3H3.
What are the key properties of 1-[4-[1-(dimethylamino)propan-2-yloxy]phenyl]-4-phenylmethoxypyridin-2-one?
1-[4-[1-(dimethylamino)propan-2-yloxy]phenyl]-4-phenylmethoxypyridin-2-one has a molecular weight of 378.47 g/mol, XLogP of 3.75, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(dimethylamino)propan-2-yloxy]phenyl]-4-phenylmethoxypyridin-2-one is sourced from PubChem (CID 53325165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).