2-[6-(methoxymethyl)-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl]-2-methylpropanamide

C16H20N2O4 — CID 140987726

IUPAC2-[6-(methoxymethyl)-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl]-2-methylpropanamide
SMILESCOCC1=C(c2ccccc2)C(=O)N(C(C)(C)C(N)=O)CO1
InChIInChI=1S/C16H20N2O4/c1-16(2,15(17)20)18-10-22-12(9-21-3)13(14(18)19)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H2,17,20)
InChIKeyPZJWTEXWBIQGDG-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.12
Rot. Bonds5

About 2-[6-(methoxymethyl)-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl]-2-methylpropanamide

2-[6-(methoxymethyl)-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl]-2-methylpropanamide (PubChem CID 140987726) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-[6-(methoxymethyl)-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl]-2-methylpropanamide.

Molecular Properties

Compound Name2-[6-(methoxymethyl)-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl]-2-methylpropanamide
PubChem CID140987726
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name2-[6-(methoxymethyl)-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl]-2-methylpropanamide
SMILESCOCC1=C(c2ccccc2)C(=O)N(C(C)(C)C(N)=O)CO1
InChIInChI=1S/C16H20N2O4/c1-16(2,15(17)20)18-10-22-12(9-21-3)13(14(18)19)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H2,17,20)
InChIKeyPZJWTEXWBIQGDG-UHFFFAOYSA-N
XLogP1.12
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[6-(methoxymethyl)-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl]-2-methylpropanamide 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 2-[6-(methoxymethyl)-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl]-2-methylpropanamide?
The IUPAC name of 2-[6-(methoxymethyl)-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl]-2-methylpropanamide (CID 140987726) is 2-[6-(methoxymethyl)-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl]-2-methylpropanamide.
What is the SMILES notation for 2-[6-(methoxymethyl)-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl]-2-methylpropanamide?
The canonical SMILES for 2-[6-(methoxymethyl)-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl]-2-methylpropanamide is COCC1=C(c2ccccc2)C(=O)N(C(C)(C)C(N)=O)CO1.
What is the InChIKey of 2-[6-(methoxymethyl)-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl]-2-methylpropanamide?
The InChIKey is PZJWTEXWBIQGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-16(2,15(17)20)18-10-22-12(9-21-3)13(14(18)19)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H2,17,20).
What are the key properties of 2-[6-(methoxymethyl)-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl]-2-methylpropanamide?
2-[6-(methoxymethyl)-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl]-2-methylpropanamide has a molecular weight of 304.35 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(methoxymethyl)-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl]-2-methylpropanamide is sourced from PubChem (CID 140987726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).