3-(6-methyl-6-phenyl-1,3-oxazinan-3-yl)-1-phenylpropan-1-one

C20H23NO2 — CID 22983

IUPAC3-(6-methyl-6-phenyl-1,3-oxazinan-3-yl)-1-phenylpropan-1-one
SMILESCC1(c2ccccc2)CCN(CCC(=O)c2ccccc2)CO1
InChIInChI=1S/C20H23NO2/c1-20(18-10-6-3-7-11-18)13-15-21(16-23-20)14-12-19(22)17-8-4-2-5-9-17/h2-11H,12-16H2,1H3
InChIKeyIHUNNGIUVKGRAK-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.85
Rot. Bonds5

About 3-(6-methyl-6-phenyl-1,3-oxazinan-3-yl)-1-phenylpropan-1-one

3-(6-methyl-6-phenyl-1,3-oxazinan-3-yl)-1-phenylpropan-1-one (PubChem CID 22983) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 3-(6-methyl-6-phenyl-1,3-oxazinan-3-yl)-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-(6-methyl-6-phenyl-1,3-oxazinan-3-yl)-1-phenylpropan-1-one
PubChem CID22983
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name3-(6-methyl-6-phenyl-1,3-oxazinan-3-yl)-1-phenylpropan-1-one
SMILESCC1(c2ccccc2)CCN(CCC(=O)c2ccccc2)CO1
InChIInChI=1S/C20H23NO2/c1-20(18-10-6-3-7-11-18)13-15-21(16-23-20)14-12-19(22)17-8-4-2-5-9-17/h2-11H,12-16H2,1H3
InChIKeyIHUNNGIUVKGRAK-UHFFFAOYSA-N
XLogP3.85
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(6-methyl-6-phenyl-1,3-oxazinan-3-yl)-1-phenylpropan-1-one?
The IUPAC name of 3-(6-methyl-6-phenyl-1,3-oxazinan-3-yl)-1-phenylpropan-1-one (CID 22983) is 3-(6-methyl-6-phenyl-1,3-oxazinan-3-yl)-1-phenylpropan-1-one.
What is the SMILES notation for 3-(6-methyl-6-phenyl-1,3-oxazinan-3-yl)-1-phenylpropan-1-one?
The canonical SMILES for 3-(6-methyl-6-phenyl-1,3-oxazinan-3-yl)-1-phenylpropan-1-one is CC1(c2ccccc2)CCN(CCC(=O)c2ccccc2)CO1.
What is the InChIKey of 3-(6-methyl-6-phenyl-1,3-oxazinan-3-yl)-1-phenylpropan-1-one?
The InChIKey is IHUNNGIUVKGRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-20(18-10-6-3-7-11-18)13-15-21(16-23-20)14-12-19(22)17-8-4-2-5-9-17/h2-11H,12-16H2,1H3.
What are the key properties of 3-(6-methyl-6-phenyl-1,3-oxazinan-3-yl)-1-phenylpropan-1-one?
3-(6-methyl-6-phenyl-1,3-oxazinan-3-yl)-1-phenylpropan-1-one has a molecular weight of 309.41 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methyl-6-phenyl-1,3-oxazinan-3-yl)-1-phenylpropan-1-one is sourced from PubChem (CID 22983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).