1-[2-[4-[(dimethylamino)methyl]phenyl]ethyl]-4-phenylmethoxypyridin-2-one

C23H26N2O2 — CID 122184832

IUPAC1-[2-[4-[(dimethylamino)methyl]phenyl]ethyl]-4-phenylmethoxypyridin-2-one
SMILESCN(C)Cc1ccc(CCn2ccc(OCc3ccccc3)cc2=O)cc1
InChIInChI=1S/C23H26N2O2/c1-24(2)17-20-10-8-19(9-11-20)12-14-25-15-13-22(16-23(25)26)27-18-21-6-4-3-5-7-21/h3-11,13,15-16H,12,14,17-18H2,1-2H3
InChIKeyLSYFVJFHTOYNRT-UHFFFAOYSA-N
MW362.47 g/mol
LogP3.73
Rot. Bonds8

About 1-[2-[4-[(dimethylamino)methyl]phenyl]ethyl]-4-phenylmethoxypyridin-2-one

1-[2-[4-[(dimethylamino)methyl]phenyl]ethyl]-4-phenylmethoxypyridin-2-one (PubChem CID 122184832) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is 1-[2-[4-[(dimethylamino)methyl]phenyl]ethyl]-4-phenylmethoxypyridin-2-one.

Molecular Properties

Compound Name1-[2-[4-[(dimethylamino)methyl]phenyl]ethyl]-4-phenylmethoxypyridin-2-one
PubChem CID122184832
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name1-[2-[4-[(dimethylamino)methyl]phenyl]ethyl]-4-phenylmethoxypyridin-2-one
SMILESCN(C)Cc1ccc(CCn2ccc(OCc3ccccc3)cc2=O)cc1
InChIInChI=1S/C23H26N2O2/c1-24(2)17-20-10-8-19(9-11-20)12-14-25-15-13-22(16-23(25)26)27-18-21-6-4-3-5-7-21/h3-11,13,15-16H,12,14,17-18H2,1-2H3
InChIKeyLSYFVJFHTOYNRT-UHFFFAOYSA-N
XLogP3.73
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[(dimethylamino)methyl]phenyl]ethyl]-4-phenylmethoxypyridin-2-one?
The IUPAC name of 1-[2-[4-[(dimethylamino)methyl]phenyl]ethyl]-4-phenylmethoxypyridin-2-one (CID 122184832) is 1-[2-[4-[(dimethylamino)methyl]phenyl]ethyl]-4-phenylmethoxypyridin-2-one.
What is the SMILES notation for 1-[2-[4-[(dimethylamino)methyl]phenyl]ethyl]-4-phenylmethoxypyridin-2-one?
The canonical SMILES for 1-[2-[4-[(dimethylamino)methyl]phenyl]ethyl]-4-phenylmethoxypyridin-2-one is CN(C)Cc1ccc(CCn2ccc(OCc3ccccc3)cc2=O)cc1.
What is the InChIKey of 1-[2-[4-[(dimethylamino)methyl]phenyl]ethyl]-4-phenylmethoxypyridin-2-one?
The InChIKey is LSYFVJFHTOYNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-24(2)17-20-10-8-19(9-11-20)12-14-25-15-13-22(16-23(25)26)27-18-21-6-4-3-5-7-21/h3-11,13,15-16H,12,14,17-18H2,1-2H3.
What are the key properties of 1-[2-[4-[(dimethylamino)methyl]phenyl]ethyl]-4-phenylmethoxypyridin-2-one?
1-[2-[4-[(dimethylamino)methyl]phenyl]ethyl]-4-phenylmethoxypyridin-2-one has a molecular weight of 362.47 g/mol, XLogP of 3.73, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[(dimethylamino)methyl]phenyl]ethyl]-4-phenylmethoxypyridin-2-one is sourced from PubChem (CID 122184832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).