6-methyl-3-(2-methyl-3-oxohexan-2-yl)-5-phenyl-2H-1,3-oxazin-4-one

C18H23NO3 — CID 18795456

IUPAC6-methyl-3-(2-methyl-3-oxohexan-2-yl)-5-phenyl-2H-1,3-oxazin-4-one
SMILESCCCC(=O)C(C)(C)N1COC(C)=C(c2ccccc2)C1=O
InChIInChI=1S/C18H23NO3/c1-5-9-15(20)18(3,4)19-12-22-13(2)16(17(19)21)14-10-7-6-8-11-14/h6-8,10-11H,5,9,12H2,1-4H3
InChIKeyYQAFTFPYICDVBC-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.38
Rot. Bonds5

About 6-methyl-3-(2-methyl-3-oxohexan-2-yl)-5-phenyl-2H-1,3-oxazin-4-one

6-methyl-3-(2-methyl-3-oxohexan-2-yl)-5-phenyl-2H-1,3-oxazin-4-one (PubChem CID 18795456) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 6-methyl-3-(2-methyl-3-oxohexan-2-yl)-5-phenyl-2H-1,3-oxazin-4-one.

Molecular Properties

Compound Name6-methyl-3-(2-methyl-3-oxohexan-2-yl)-5-phenyl-2H-1,3-oxazin-4-one
PubChem CID18795456
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name6-methyl-3-(2-methyl-3-oxohexan-2-yl)-5-phenyl-2H-1,3-oxazin-4-one
SMILESCCCC(=O)C(C)(C)N1COC(C)=C(c2ccccc2)C1=O
InChIInChI=1S/C18H23NO3/c1-5-9-15(20)18(3,4)19-12-22-13(2)16(17(19)21)14-10-7-6-8-11-14/h6-8,10-11H,5,9,12H2,1-4H3
InChIKeyYQAFTFPYICDVBC-UHFFFAOYSA-N
XLogP3.38
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(2-methyl-3-oxohexan-2-yl)-5-phenyl-2H-1,3-oxazin-4-one?
The IUPAC name of 6-methyl-3-(2-methyl-3-oxohexan-2-yl)-5-phenyl-2H-1,3-oxazin-4-one (CID 18795456) is 6-methyl-3-(2-methyl-3-oxohexan-2-yl)-5-phenyl-2H-1,3-oxazin-4-one.
What is the SMILES notation for 6-methyl-3-(2-methyl-3-oxohexan-2-yl)-5-phenyl-2H-1,3-oxazin-4-one?
The canonical SMILES for 6-methyl-3-(2-methyl-3-oxohexan-2-yl)-5-phenyl-2H-1,3-oxazin-4-one is CCCC(=O)C(C)(C)N1COC(C)=C(c2ccccc2)C1=O.
What is the InChIKey of 6-methyl-3-(2-methyl-3-oxohexan-2-yl)-5-phenyl-2H-1,3-oxazin-4-one?
The InChIKey is YQAFTFPYICDVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c1-5-9-15(20)18(3,4)19-12-22-13(2)16(17(19)21)14-10-7-6-8-11-14/h6-8,10-11H,5,9,12H2,1-4H3.
What are the key properties of 6-methyl-3-(2-methyl-3-oxohexan-2-yl)-5-phenyl-2H-1,3-oxazin-4-one?
6-methyl-3-(2-methyl-3-oxohexan-2-yl)-5-phenyl-2H-1,3-oxazin-4-one has a molecular weight of 301.39 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(2-methyl-3-oxohexan-2-yl)-5-phenyl-2H-1,3-oxazin-4-one is sourced from PubChem (CID 18795456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).