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

C16H18N2O6 — CID 168635834

IUPACdimethyl 3-[2-(methylcarbamoyl)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
SMILESCNC(=O)c1ccccc1N1COCC(C(=O)OC)=C1C(=O)OC
InChIInChI=1S/C16H18N2O6/c1-17-14(19)10-6-4-5-7-12(10)18-9-24-8-11(15(20)22-2)13(18)16(21)23-3/h4-7H,8-9H2,1-3H3,(H,17,19)
InChIKeyBEQYBLRCJCFPJS-UHFFFAOYSA-N
MW334.33 g/mol
LogP0.44
Rot. Bonds4

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

dimethyl 3-[2-(methylcarbamoyl)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate (PubChem CID 168635834) has the molecular formula C16H18N2O6 and a molecular weight of 334.33 g/mol. Its IUPAC name is dimethyl 3-[2-(methylcarbamoyl)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3-[2-(methylcarbamoyl)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
PubChem CID168635834
Molecular FormulaC16H18N2O6
Molecular Weight334.33 g/mol
Exact Mass334.12
IUPAC Namedimethyl 3-[2-(methylcarbamoyl)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
SMILESCNC(=O)c1ccccc1N1COCC(C(=O)OC)=C1C(=O)OC
InChIInChI=1S/C16H18N2O6/c1-17-14(19)10-6-4-5-7-12(10)18-9-24-8-11(15(20)22-2)13(18)16(21)23-3/h4-7H,8-9H2,1-3H3,(H,17,19)
InChIKeyBEQYBLRCJCFPJS-UHFFFAOYSA-N
XLogP0.44
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of dimethyl 3-[2-(methylcarbamoyl)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate?
The IUPAC name of dimethyl 3-[2-(methylcarbamoyl)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate (CID 168635834) is dimethyl 3-[2-(methylcarbamoyl)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate.
What is the SMILES notation for dimethyl 3-[2-(methylcarbamoyl)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate?
The canonical SMILES for dimethyl 3-[2-(methylcarbamoyl)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate is CNC(=O)c1ccccc1N1COCC(C(=O)OC)=C1C(=O)OC.
What is the InChIKey of dimethyl 3-[2-(methylcarbamoyl)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate?
The InChIKey is BEQYBLRCJCFPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O6/c1-17-14(19)10-6-4-5-7-12(10)18-9-24-8-11(15(20)22-2)13(18)16(21)23-3/h4-7H,8-9H2,1-3H3,(H,17,19).
What are the key properties of dimethyl 3-[2-(methylcarbamoyl)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate?
dimethyl 3-[2-(methylcarbamoyl)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate has a molecular weight of 334.33 g/mol, XLogP of 0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-[2-(methylcarbamoyl)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate is sourced from PubChem (CID 168635834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).