dimethyl 3-[5-methoxy-2-(2-methylpropanoylamino)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate

C19H24N2O7 — CID 168633792

IUPACdimethyl 3-[5-methoxy-2-(2-methylpropanoylamino)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)N(c2cc(OC)ccc2NC(=O)C(C)C)COC1
InChIInChI=1S/C19H24N2O7/c1-11(2)17(22)20-14-7-6-12(25-3)8-15(14)21-10-28-9-13(18(23)26-4)16(21)19(24)27-5/h6-8,11H,9-10H2,1-5H3,(H,20,22)
InChIKeyGDLIUQJKIUGIHE-UHFFFAOYSA-N
MW392.41 g/mol
LogP1.68
Rot. Bonds6

About dimethyl 3-[5-methoxy-2-(2-methylpropanoylamino)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate

dimethyl 3-[5-methoxy-2-(2-methylpropanoylamino)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate (PubChem CID 168633792) has the molecular formula C19H24N2O7 and a molecular weight of 392.41 g/mol. Its IUPAC name is dimethyl 3-[5-methoxy-2-(2-methylpropanoylamino)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3-[5-methoxy-2-(2-methylpropanoylamino)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
PubChem CID168633792
Molecular FormulaC19H24N2O7
Molecular Weight392.41 g/mol
Exact Mass392.16
IUPAC Namedimethyl 3-[5-methoxy-2-(2-methylpropanoylamino)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)N(c2cc(OC)ccc2NC(=O)C(C)C)COC1
InChIInChI=1S/C19H24N2O7/c1-11(2)17(22)20-14-7-6-12(25-3)8-15(14)21-10-28-9-13(18(23)26-4)16(21)19(24)27-5/h6-8,11H,9-10H2,1-5H3,(H,20,22)
InChIKeyGDLIUQJKIUGIHE-UHFFFAOYSA-N
XLogP1.68
TPSA103.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze dimethyl 3-[5-methoxy-2-(2-methylpropanoylamino)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate with MolForge

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Related Compounds

dimethyl 3-(4-methoxyphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 102280773
dimethyl 3-[5-chloro-2-(ethylamino)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168632212
dimethyl 3-[2-bromo-4-(difluoromethoxy)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168631888
dimethyl 3-[5-chloro-2-(1-phenylethylamino)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168632701
dimethyl 3-(5-chloro-2-hydroxyphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168635905
dimethyl 3-(5-chloro-2-methylphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168600790
dimethyl 3-[2-(2-methylpropylamino)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168633870
dimethyl 3-(4-methoxycarbonyl-2-methylphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168600780
dimethyl 3-[2-methyl-5-(3-methylbutanoylamino)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168632708
dimethyl 3-(2-bromo-4-methylphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168600799
dimethyl 3-(5-acetyl-2-bromophenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168635804
dimethyl 3-(4-bromo-2-methoxycarbonyl-3-methylphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168633550

Frequently Asked Questions

What is the IUPAC name of dimethyl 3-[5-methoxy-2-(2-methylpropanoylamino)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate?
The IUPAC name of dimethyl 3-[5-methoxy-2-(2-methylpropanoylamino)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate (CID 168633792) is dimethyl 3-[5-methoxy-2-(2-methylpropanoylamino)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate.
What is the SMILES notation for dimethyl 3-[5-methoxy-2-(2-methylpropanoylamino)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate?
The canonical SMILES for dimethyl 3-[5-methoxy-2-(2-methylpropanoylamino)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate is COC(=O)C1=C(C(=O)OC)N(c2cc(OC)ccc2NC(=O)C(C)C)COC1.
What is the InChIKey of dimethyl 3-[5-methoxy-2-(2-methylpropanoylamino)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate?
The InChIKey is GDLIUQJKIUGIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O7/c1-11(2)17(22)20-14-7-6-12(25-3)8-15(14)21-10-28-9-13(18(23)26-4)16(21)19(24)27-5/h6-8,11H,9-10H2,1-5H3,(H,20,22).
What are the key properties of dimethyl 3-[5-methoxy-2-(2-methylpropanoylamino)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate?
dimethyl 3-[5-methoxy-2-(2-methylpropanoylamino)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate has a molecular weight of 392.41 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-[5-methoxy-2-(2-methylpropanoylamino)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate is sourced from PubChem (CID 168633792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).