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

C17H21NO4 — CID 10968683

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

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

ethyl 2-methyl-2-(6-methyl-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl)propanoate (PubChem CID 10968683) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is ethyl 2-methyl-2-(6-methyl-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-methyl-2-(6-methyl-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl)propanoate
PubChem CID10968683
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC Nameethyl 2-methyl-2-(6-methyl-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl)propanoate
SMILESCCOC(=O)C(C)(C)N1COC(C)=C(c2ccccc2)C1=O
InChIInChI=1S/C17H21NO4/c1-5-21-16(20)17(3,4)18-11-22-12(2)14(15(18)19)13-9-7-6-8-10-13/h6-10H,5,11H2,1-4H3
InChIKeyKFSKMRRJYCRSSC-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 ethyl 2-methyl-2-(6-methyl-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl)propanoate?
The IUPAC name of ethyl 2-methyl-2-(6-methyl-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl)propanoate (CID 10968683) is ethyl 2-methyl-2-(6-methyl-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl)propanoate.
What is the SMILES notation for ethyl 2-methyl-2-(6-methyl-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl)propanoate?
The canonical SMILES for ethyl 2-methyl-2-(6-methyl-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl)propanoate is CCOC(=O)C(C)(C)N1COC(C)=C(c2ccccc2)C1=O.
What is the InChIKey of ethyl 2-methyl-2-(6-methyl-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl)propanoate?
The InChIKey is KFSKMRRJYCRSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4/c1-5-21-16(20)17(3,4)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 ethyl 2-methyl-2-(6-methyl-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl)propanoate?
ethyl 2-methyl-2-(6-methyl-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl)propanoate 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 ethyl 2-methyl-2-(6-methyl-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl)propanoate is sourced from PubChem (CID 10968683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).