1-[2-[2-methyl-4-(morpholin-4-ylmethyl)phenyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one

C26H28N2O4 — CID 91759543

IUPAC1-[2-[2-methyl-4-(morpholin-4-ylmethyl)phenyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one
SMILESCc1cc(CN2CCOCC2)ccc1C(=O)Cn1ccc(OCc2ccccc2)cc1=O
InChIInChI=1S/C26H28N2O4/c1-20-15-22(17-27-11-13-31-14-12-27)7-8-24(20)25(29)18-28-10-9-23(16-26(28)30)32-19-21-5-3-2-4-6-21/h2-10,15-16H,11-14,17-19H2,1H3
InChIKeyPTNFMHGMHIVFHX-UHFFFAOYSA-N
MW432.52 g/mol
LogP3.45
Rot. Bonds8

About 1-[2-[2-methyl-4-(morpholin-4-ylmethyl)phenyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one

1-[2-[2-methyl-4-(morpholin-4-ylmethyl)phenyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one (PubChem CID 91759543) has the molecular formula C26H28N2O4 and a molecular weight of 432.52 g/mol. Its IUPAC name is 1-[2-[2-methyl-4-(morpholin-4-ylmethyl)phenyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one.

Molecular Properties

Compound Name1-[2-[2-methyl-4-(morpholin-4-ylmethyl)phenyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one
PubChem CID91759543
Molecular FormulaC26H28N2O4
Molecular Weight432.52 g/mol
Exact Mass432.20
IUPAC Name1-[2-[2-methyl-4-(morpholin-4-ylmethyl)phenyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one
SMILESCc1cc(CN2CCOCC2)ccc1C(=O)Cn1ccc(OCc2ccccc2)cc1=O
InChIInChI=1S/C26H28N2O4/c1-20-15-22(17-27-11-13-31-14-12-27)7-8-24(20)25(29)18-28-10-9-23(16-26(28)30)32-19-21-5-3-2-4-6-21/h2-10,15-16H,11-14,17-19H2,1H3
InChIKeyPTNFMHGMHIVFHX-UHFFFAOYSA-N
XLogP3.45
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-methyl-4-(morpholin-4-ylmethyl)phenyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one?
The IUPAC name of 1-[2-[2-methyl-4-(morpholin-4-ylmethyl)phenyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one (CID 91759543) is 1-[2-[2-methyl-4-(morpholin-4-ylmethyl)phenyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one.
What is the SMILES notation for 1-[2-[2-methyl-4-(morpholin-4-ylmethyl)phenyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one?
The canonical SMILES for 1-[2-[2-methyl-4-(morpholin-4-ylmethyl)phenyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one is Cc1cc(CN2CCOCC2)ccc1C(=O)Cn1ccc(OCc2ccccc2)cc1=O.
What is the InChIKey of 1-[2-[2-methyl-4-(morpholin-4-ylmethyl)phenyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one?
The InChIKey is PTNFMHGMHIVFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O4/c1-20-15-22(17-27-11-13-31-14-12-27)7-8-24(20)25(29)18-28-10-9-23(16-26(28)30)32-19-21-5-3-2-4-6-21/h2-10,15-16H,11-14,17-19H2,1H3.
What are the key properties of 1-[2-[2-methyl-4-(morpholin-4-ylmethyl)phenyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one?
1-[2-[2-methyl-4-(morpholin-4-ylmethyl)phenyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one has a molecular weight of 432.52 g/mol, XLogP of 3.45, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-methyl-4-(morpholin-4-ylmethyl)phenyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one is sourced from PubChem (CID 91759543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).