dimethyl 3-(3-acetamido-2,4,6-trimethylphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate

C19H24N2O6 — CID 168633977

IUPACdimethyl 3-(3-acetamido-2,4,6-trimethylphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)N(c2c(C)cc(C)c(NC(C)=O)c2C)COC1
InChIInChI=1S/C19H24N2O6/c1-10-7-11(2)16(12(3)15(10)20-13(4)22)21-9-27-8-14(18(23)25-5)17(21)19(24)26-6/h7H,8-9H2,1-6H3,(H,20,22)
InChIKeyWRAZRQHFKABSCR-UHFFFAOYSA-N
MW376.41 g/mol
LogP1.96
Rot. Bonds4

About dimethyl 3-(3-acetamido-2,4,6-trimethylphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate

dimethyl 3-(3-acetamido-2,4,6-trimethylphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate (PubChem CID 168633977) has the molecular formula C19H24N2O6 and a molecular weight of 376.41 g/mol. Its IUPAC name is dimethyl 3-(3-acetamido-2,4,6-trimethylphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3-(3-acetamido-2,4,6-trimethylphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
PubChem CID168633977
Molecular FormulaC19H24N2O6
Molecular Weight376.41 g/mol
Exact Mass376.16
IUPAC Namedimethyl 3-(3-acetamido-2,4,6-trimethylphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)N(c2c(C)cc(C)c(NC(C)=O)c2C)COC1
InChIInChI=1S/C19H24N2O6/c1-10-7-11(2)16(12(3)15(10)20-13(4)22)21-9-27-8-14(18(23)25-5)17(21)19(24)26-6/h7H,8-9H2,1-6H3,(H,20,22)
InChIKeyWRAZRQHFKABSCR-UHFFFAOYSA-N
XLogP1.96
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of dimethyl 3-(3-acetamido-2,4,6-trimethylphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate?
The IUPAC name of dimethyl 3-(3-acetamido-2,4,6-trimethylphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate (CID 168633977) is dimethyl 3-(3-acetamido-2,4,6-trimethylphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate.
What is the SMILES notation for dimethyl 3-(3-acetamido-2,4,6-trimethylphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate?
The canonical SMILES for dimethyl 3-(3-acetamido-2,4,6-trimethylphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate is COC(=O)C1=C(C(=O)OC)N(c2c(C)cc(C)c(NC(C)=O)c2C)COC1.
What is the InChIKey of dimethyl 3-(3-acetamido-2,4,6-trimethylphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate?
The InChIKey is WRAZRQHFKABSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O6/c1-10-7-11(2)16(12(3)15(10)20-13(4)22)21-9-27-8-14(18(23)25-5)17(21)19(24)26-6/h7H,8-9H2,1-6H3,(H,20,22).
What are the key properties of dimethyl 3-(3-acetamido-2,4,6-trimethylphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate?
dimethyl 3-(3-acetamido-2,4,6-trimethylphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate has a molecular weight of 376.41 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-(3-acetamido-2,4,6-trimethylphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate is sourced from PubChem (CID 168633977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).