6-(2-hydroxy-2-methylpropyl)-3-[1-[4-[1-(3-hydroxy-2-methylpropyl)-2-oxo-4-pyridinyl]phenyl]ethyl]-1,3-oxazinan-2-one

C25H34N2O5 — CID 143887169

IUPAC6-(2-hydroxy-2-methylpropyl)-3-[1-[4-[1-(3-hydroxy-2-methylpropyl)-2-oxo-4-pyridinyl]phenyl]ethyl]-1,3-oxazinan-2-one
SMILESCC(CO)Cn1ccc(-c2ccc(C(C)N3CCC(CC(C)(C)O)OC3=O)cc2)cc1=O
InChIInChI=1S/C25H34N2O5/c1-17(16-28)15-26-11-9-21(13-23(26)29)20-7-5-19(6-8-20)18(2)27-12-10-22(32-24(27)30)14-25(3,4)31/h5-9,11,13,17-18,22,28,31H,10,12,14-16H2,1-4H3
InChIKeyQYJFBNKBJRJSLC-UHFFFAOYSA-N
MW442.56 g/mol
LogP3.58
Rot. Bonds8

About 6-(2-hydroxy-2-methylpropyl)-3-[1-[4-[1-(3-hydroxy-2-methylpropyl)-2-oxo-4-pyridinyl]phenyl]ethyl]-1,3-oxazinan-2-one

6-(2-hydroxy-2-methylpropyl)-3-[1-[4-[1-(3-hydroxy-2-methylpropyl)-2-oxo-4-pyridinyl]phenyl]ethyl]-1,3-oxazinan-2-one (PubChem CID 143887169) has the molecular formula C25H34N2O5 and a molecular weight of 442.56 g/mol. Its IUPAC name is 6-(2-hydroxy-2-methylpropyl)-3-[1-[4-[1-(3-hydroxy-2-methylpropyl)-2-oxo-4-pyridinyl]phenyl]ethyl]-1,3-oxazinan-2-one.

Molecular Properties

Compound Name6-(2-hydroxy-2-methylpropyl)-3-[1-[4-[1-(3-hydroxy-2-methylpropyl)-2-oxo-4-pyridinyl]phenyl]ethyl]-1,3-oxazinan-2-one
PubChem CID143887169
Molecular FormulaC25H34N2O5
Molecular Weight442.56 g/mol
Exact Mass442.25
IUPAC Name6-(2-hydroxy-2-methylpropyl)-3-[1-[4-[1-(3-hydroxy-2-methylpropyl)-2-oxo-4-pyridinyl]phenyl]ethyl]-1,3-oxazinan-2-one
SMILESCC(CO)Cn1ccc(-c2ccc(C(C)N3CCC(CC(C)(C)O)OC3=O)cc2)cc1=O
InChIInChI=1S/C25H34N2O5/c1-17(16-28)15-26-11-9-21(13-23(26)29)20-7-5-19(6-8-20)18(2)27-12-10-22(32-24(27)30)14-25(3,4)31/h5-9,11,13,17-18,22,28,31H,10,12,14-16H2,1-4H3
InChIKeyQYJFBNKBJRJSLC-UHFFFAOYSA-N
XLogP3.58
TPSA92.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxy-2-methylpropyl)-3-[1-[4-[1-(3-hydroxy-2-methylpropyl)-2-oxo-4-pyridinyl]phenyl]ethyl]-1,3-oxazinan-2-one?
The IUPAC name of 6-(2-hydroxy-2-methylpropyl)-3-[1-[4-[1-(3-hydroxy-2-methylpropyl)-2-oxo-4-pyridinyl]phenyl]ethyl]-1,3-oxazinan-2-one (CID 143887169) is 6-(2-hydroxy-2-methylpropyl)-3-[1-[4-[1-(3-hydroxy-2-methylpropyl)-2-oxo-4-pyridinyl]phenyl]ethyl]-1,3-oxazinan-2-one.
What is the SMILES notation for 6-(2-hydroxy-2-methylpropyl)-3-[1-[4-[1-(3-hydroxy-2-methylpropyl)-2-oxo-4-pyridinyl]phenyl]ethyl]-1,3-oxazinan-2-one?
The canonical SMILES for 6-(2-hydroxy-2-methylpropyl)-3-[1-[4-[1-(3-hydroxy-2-methylpropyl)-2-oxo-4-pyridinyl]phenyl]ethyl]-1,3-oxazinan-2-one is CC(CO)Cn1ccc(-c2ccc(C(C)N3CCC(CC(C)(C)O)OC3=O)cc2)cc1=O.
What is the InChIKey of 6-(2-hydroxy-2-methylpropyl)-3-[1-[4-[1-(3-hydroxy-2-methylpropyl)-2-oxo-4-pyridinyl]phenyl]ethyl]-1,3-oxazinan-2-one?
The InChIKey is QYJFBNKBJRJSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O5/c1-17(16-28)15-26-11-9-21(13-23(26)29)20-7-5-19(6-8-20)18(2)27-12-10-22(32-24(27)30)14-25(3,4)31/h5-9,11,13,17-18,22,28,31H,10,12,14-16H2,1-4H3.
What are the key properties of 6-(2-hydroxy-2-methylpropyl)-3-[1-[4-[1-(3-hydroxy-2-methylpropyl)-2-oxo-4-pyridinyl]phenyl]ethyl]-1,3-oxazinan-2-one?
6-(2-hydroxy-2-methylpropyl)-3-[1-[4-[1-(3-hydroxy-2-methylpropyl)-2-oxo-4-pyridinyl]phenyl]ethyl]-1,3-oxazinan-2-one has a molecular weight of 442.56 g/mol, XLogP of 3.58, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxy-2-methylpropyl)-3-[1-[4-[1-(3-hydroxy-2-methylpropyl)-2-oxo-4-pyridinyl]phenyl]ethyl]-1,3-oxazinan-2-one is sourced from PubChem (CID 143887169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).