methyl 2-methyl-2-(6-methyl-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl)butanoate

C17H21NO4 — CID 15456866

IUPACmethyl 2-methyl-2-(6-methyl-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl)butanoate
SMILESCCC(C)(C(=O)OC)N1COC(C)=C(c2ccccc2)C1=O
InChIInChI=1S/C17H21NO4/c1-5-17(3,16(20)21-4)18-11-22-12(2)14(15(18)19)13-9-7-6-8-10-13/h6-10H,5,11H2,1-4H3
InChIKeyDHIAEACCDOGCMC-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.58
Rot. Bonds4

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

methyl 2-methyl-2-(6-methyl-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl)butanoate (PubChem CID 15456866) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is methyl 2-methyl-2-(6-methyl-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl)butanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-(6-methyl-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl)butanoate
PubChem CID15456866
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC Namemethyl 2-methyl-2-(6-methyl-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl)butanoate
SMILESCCC(C)(C(=O)OC)N1COC(C)=C(c2ccccc2)C1=O
InChIInChI=1S/C17H21NO4/c1-5-17(3,16(20)21-4)18-11-22-12(2)14(15(18)19)13-9-7-6-8-10-13/h6-10H,5,11H2,1-4H3
InChIKeyDHIAEACCDOGCMC-UHFFFAOYSA-N
XLogP2.58
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-(6-methyl-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl)butanoate?
The IUPAC name of methyl 2-methyl-2-(6-methyl-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl)butanoate (CID 15456866) is methyl 2-methyl-2-(6-methyl-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl)butanoate.
What is the SMILES notation for methyl 2-methyl-2-(6-methyl-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl)butanoate?
The canonical SMILES for methyl 2-methyl-2-(6-methyl-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl)butanoate is CCC(C)(C(=O)OC)N1COC(C)=C(c2ccccc2)C1=O.
What is the InChIKey of methyl 2-methyl-2-(6-methyl-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl)butanoate?
The InChIKey is DHIAEACCDOGCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4/c1-5-17(3,16(20)21-4)18-11-22-12(2)14(15(18)19)13-9-7-6-8-10-13/h6-10H,5,11H2,1-4H3.
What are the key properties of methyl 2-methyl-2-(6-methyl-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl)butanoate?
methyl 2-methyl-2-(6-methyl-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl)butanoate has a molecular weight of 303.36 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-(6-methyl-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl)butanoate is sourced from PubChem (CID 15456866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).