3-(2-methoxyphenyl)-5,5-dimethyl-1,3-oxazinane-2,4-dione

C13H15NO4 — CID 134087367

IUPAC3-(2-methoxyphenyl)-5,5-dimethyl-1,3-oxazinane-2,4-dione
SMILESCOc1ccccc1N1C(=O)OCC(C)(C)C1=O
InChIInChI=1S/C13H15NO4/c1-13(2)8-18-12(16)14(11(13)15)9-6-4-5-7-10(9)17-3/h4-7H,8H2,1-3H3
InChIKeyGSLSVOQOTIUZFZ-UHFFFAOYSA-N
MW249.27 g/mol
LogP2.20
Rot. Bonds2

About 3-(2-methoxyphenyl)-5,5-dimethyl-1,3-oxazinane-2,4-dione

3-(2-methoxyphenyl)-5,5-dimethyl-1,3-oxazinane-2,4-dione (PubChem CID 134087367) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-5,5-dimethyl-1,3-oxazinane-2,4-dione.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-5,5-dimethyl-1,3-oxazinane-2,4-dione
PubChem CID134087367
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Name3-(2-methoxyphenyl)-5,5-dimethyl-1,3-oxazinane-2,4-dione
SMILESCOc1ccccc1N1C(=O)OCC(C)(C)C1=O
InChIInChI=1S/C13H15NO4/c1-13(2)8-18-12(16)14(11(13)15)9-6-4-5-7-10(9)17-3/h4-7H,8H2,1-3H3
InChIKeyGSLSVOQOTIUZFZ-UHFFFAOYSA-N
XLogP2.20
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(2-methoxyphenyl)-5,5-dimethyl-1,3-oxazinane-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-5,5-dimethyl-1,3-oxazinane-2,4-dione?
The IUPAC name of 3-(2-methoxyphenyl)-5,5-dimethyl-1,3-oxazinane-2,4-dione (CID 134087367) is 3-(2-methoxyphenyl)-5,5-dimethyl-1,3-oxazinane-2,4-dione.
What is the SMILES notation for 3-(2-methoxyphenyl)-5,5-dimethyl-1,3-oxazinane-2,4-dione?
The canonical SMILES for 3-(2-methoxyphenyl)-5,5-dimethyl-1,3-oxazinane-2,4-dione is COc1ccccc1N1C(=O)OCC(C)(C)C1=O.
What is the InChIKey of 3-(2-methoxyphenyl)-5,5-dimethyl-1,3-oxazinane-2,4-dione?
The InChIKey is GSLSVOQOTIUZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c1-13(2)8-18-12(16)14(11(13)15)9-6-4-5-7-10(9)17-3/h4-7H,8H2,1-3H3.
What are the key properties of 3-(2-methoxyphenyl)-5,5-dimethyl-1,3-oxazinane-2,4-dione?
3-(2-methoxyphenyl)-5,5-dimethyl-1,3-oxazinane-2,4-dione has a molecular weight of 249.27 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-5,5-dimethyl-1,3-oxazinane-2,4-dione is sourced from PubChem (CID 134087367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).