3-[1-[4-(1-ethyl-5-methyl-6-oxo-3-pyridinyl)phenyl]ethyl]-6-(2-hydroxy-2-methylpropyl)-1,3-oxazinan-2-one

C24H32N2O4 — CID 143755412

IUPAC3-[1-[4-(1-ethyl-5-methyl-6-oxo-3-pyridinyl)phenyl]ethyl]-6-(2-hydroxy-2-methylpropyl)-1,3-oxazinan-2-one
SMILESCCn1cc(-c2ccc(C(C)N3CCC(CC(C)(C)O)OC3=O)cc2)cc(C)c1=O
InChIInChI=1S/C24H32N2O4/c1-6-25-15-20(13-16(2)22(25)27)19-9-7-18(8-10-19)17(3)26-12-11-21(30-23(26)28)14-24(4,5)29/h7-10,13,15,17,21,29H,6,11-12,14H2,1-5H3
InChIKeyJSCXWLYRFIKHBN-UHFFFAOYSA-N
MW412.53 g/mol
LogP4.28
Rot. Bonds6

About 3-[1-[4-(1-ethyl-5-methyl-6-oxo-3-pyridinyl)phenyl]ethyl]-6-(2-hydroxy-2-methylpropyl)-1,3-oxazinan-2-one

3-[1-[4-(1-ethyl-5-methyl-6-oxo-3-pyridinyl)phenyl]ethyl]-6-(2-hydroxy-2-methylpropyl)-1,3-oxazinan-2-one (PubChem CID 143755412) has the molecular formula C24H32N2O4 and a molecular weight of 412.53 g/mol. Its IUPAC name is 3-[1-[4-(1-ethyl-5-methyl-6-oxo-3-pyridinyl)phenyl]ethyl]-6-(2-hydroxy-2-methylpropyl)-1,3-oxazinan-2-one.

Molecular Properties

Compound Name3-[1-[4-(1-ethyl-5-methyl-6-oxo-3-pyridinyl)phenyl]ethyl]-6-(2-hydroxy-2-methylpropyl)-1,3-oxazinan-2-one
PubChem CID143755412
Molecular FormulaC24H32N2O4
Molecular Weight412.53 g/mol
Exact Mass412.24
IUPAC Name3-[1-[4-(1-ethyl-5-methyl-6-oxo-3-pyridinyl)phenyl]ethyl]-6-(2-hydroxy-2-methylpropyl)-1,3-oxazinan-2-one
SMILESCCn1cc(-c2ccc(C(C)N3CCC(CC(C)(C)O)OC3=O)cc2)cc(C)c1=O
InChIInChI=1S/C24H32N2O4/c1-6-25-15-20(13-16(2)22(25)27)19-9-7-18(8-10-19)17(3)26-12-11-21(30-23(26)28)14-24(4,5)29/h7-10,13,15,17,21,29H,6,11-12,14H2,1-5H3
InChIKeyJSCXWLYRFIKHBN-UHFFFAOYSA-N
XLogP4.28
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[4-(1-ethyl-5-methyl-6-oxo-3-pyridinyl)phenyl]ethyl]-6-(2-hydroxy-2-methylpropyl)-1,3-oxazinan-2-one?
The IUPAC name of 3-[1-[4-(1-ethyl-5-methyl-6-oxo-3-pyridinyl)phenyl]ethyl]-6-(2-hydroxy-2-methylpropyl)-1,3-oxazinan-2-one (CID 143755412) is 3-[1-[4-(1-ethyl-5-methyl-6-oxo-3-pyridinyl)phenyl]ethyl]-6-(2-hydroxy-2-methylpropyl)-1,3-oxazinan-2-one.
What is the SMILES notation for 3-[1-[4-(1-ethyl-5-methyl-6-oxo-3-pyridinyl)phenyl]ethyl]-6-(2-hydroxy-2-methylpropyl)-1,3-oxazinan-2-one?
The canonical SMILES for 3-[1-[4-(1-ethyl-5-methyl-6-oxo-3-pyridinyl)phenyl]ethyl]-6-(2-hydroxy-2-methylpropyl)-1,3-oxazinan-2-one is CCn1cc(-c2ccc(C(C)N3CCC(CC(C)(C)O)OC3=O)cc2)cc(C)c1=O.
What is the InChIKey of 3-[1-[4-(1-ethyl-5-methyl-6-oxo-3-pyridinyl)phenyl]ethyl]-6-(2-hydroxy-2-methylpropyl)-1,3-oxazinan-2-one?
The InChIKey is JSCXWLYRFIKHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O4/c1-6-25-15-20(13-16(2)22(25)27)19-9-7-18(8-10-19)17(3)26-12-11-21(30-23(26)28)14-24(4,5)29/h7-10,13,15,17,21,29H,6,11-12,14H2,1-5H3.
What are the key properties of 3-[1-[4-(1-ethyl-5-methyl-6-oxo-3-pyridinyl)phenyl]ethyl]-6-(2-hydroxy-2-methylpropyl)-1,3-oxazinan-2-one?
3-[1-[4-(1-ethyl-5-methyl-6-oxo-3-pyridinyl)phenyl]ethyl]-6-(2-hydroxy-2-methylpropyl)-1,3-oxazinan-2-one has a molecular weight of 412.53 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[4-(1-ethyl-5-methyl-6-oxo-3-pyridinyl)phenyl]ethyl]-6-(2-hydroxy-2-methylpropyl)-1,3-oxazinan-2-one is sourced from PubChem (CID 143755412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).