1-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-4-phenylmethoxypyridin-2-one

C26H32N2O3 — CID 53325164

IUPAC1-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-4-phenylmethoxypyridin-2-one
SMILESCC(C)N(CCOc1ccc(-n2ccc(OCc3ccccc3)cc2=O)cc1)C(C)C
InChIInChI=1S/C26H32N2O3/c1-20(2)27(21(3)4)16-17-30-24-12-10-23(11-13-24)28-15-14-25(18-26(28)29)31-19-22-8-6-5-7-9-22/h5-15,18,20-21H,16-17,19H2,1-4H3
InChIKeyYHMGBTHOLTYBSS-UHFFFAOYSA-N
MW420.55 g/mol
LogP4.91
Rot. Bonds10

About 1-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-4-phenylmethoxypyridin-2-one

1-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-4-phenylmethoxypyridin-2-one (PubChem CID 53325164) has the molecular formula C26H32N2O3 and a molecular weight of 420.55 g/mol. Its IUPAC name is 1-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-4-phenylmethoxypyridin-2-one.

Molecular Properties

Compound Name1-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-4-phenylmethoxypyridin-2-one
PubChem CID53325164
Molecular FormulaC26H32N2O3
Molecular Weight420.55 g/mol
Exact Mass420.24
IUPAC Name1-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-4-phenylmethoxypyridin-2-one
SMILESCC(C)N(CCOc1ccc(-n2ccc(OCc3ccccc3)cc2=O)cc1)C(C)C
InChIInChI=1S/C26H32N2O3/c1-20(2)27(21(3)4)16-17-30-24-12-10-23(11-13-24)28-15-14-25(18-26(28)29)31-19-22-8-6-5-7-9-22/h5-15,18,20-21H,16-17,19H2,1-4H3
InChIKeyYHMGBTHOLTYBSS-UHFFFAOYSA-N
XLogP4.91
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.55
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-4-phenylmethoxypyridin-2-one?
The IUPAC name of 1-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-4-phenylmethoxypyridin-2-one (CID 53325164) is 1-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-4-phenylmethoxypyridin-2-one.
What is the SMILES notation for 1-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-4-phenylmethoxypyridin-2-one?
The canonical SMILES for 1-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-4-phenylmethoxypyridin-2-one is CC(C)N(CCOc1ccc(-n2ccc(OCc3ccccc3)cc2=O)cc1)C(C)C.
What is the InChIKey of 1-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-4-phenylmethoxypyridin-2-one?
The InChIKey is YHMGBTHOLTYBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O3/c1-20(2)27(21(3)4)16-17-30-24-12-10-23(11-13-24)28-15-14-25(18-26(28)29)31-19-22-8-6-5-7-9-22/h5-15,18,20-21H,16-17,19H2,1-4H3.
What are the key properties of 1-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-4-phenylmethoxypyridin-2-one?
1-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-4-phenylmethoxypyridin-2-one has a molecular weight of 420.55 g/mol, XLogP of 4.91, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-4-phenylmethoxypyridin-2-one is sourced from PubChem (CID 53325164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).