dimethyl 3-(2-benzamido-5-methylphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate

C22H22N2O6 — CID 168632952

IUPACdimethyl 3-(2-benzamido-5-methylphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)N(c2cc(C)ccc2NC(=O)c2ccccc2)COC1
InChIInChI=1S/C22H22N2O6/c1-14-9-10-17(23-20(25)15-7-5-4-6-8-15)18(11-14)24-13-30-12-16(21(26)28-2)19(24)22(27)29-3/h4-11H,12-13H2,1-3H3,(H,23,25)
InChIKeyGOTHKDBAFOOXJN-UHFFFAOYSA-N
MW410.43 g/mol
LogP2.64
Rot. Bonds5

About dimethyl 3-(2-benzamido-5-methylphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate

dimethyl 3-(2-benzamido-5-methylphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate (PubChem CID 168632952) has the molecular formula C22H22N2O6 and a molecular weight of 410.43 g/mol. Its IUPAC name is dimethyl 3-(2-benzamido-5-methylphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3-(2-benzamido-5-methylphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
PubChem CID168632952
Molecular FormulaC22H22N2O6
Molecular Weight410.43 g/mol
Exact Mass410.15
IUPAC Namedimethyl 3-(2-benzamido-5-methylphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)N(c2cc(C)ccc2NC(=O)c2ccccc2)COC1
InChIInChI=1S/C22H22N2O6/c1-14-9-10-17(23-20(25)15-7-5-4-6-8-15)18(11-14)24-13-30-12-16(21(26)28-2)19(24)22(27)29-3/h4-11H,12-13H2,1-3H3,(H,23,25)
InChIKeyGOTHKDBAFOOXJN-UHFFFAOYSA-N
XLogP2.64
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

dimethyl 3-(4-benzamido-3-methylphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168633964
dimethyl 3-(2-bromo-4-methylphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168600799
2-[4,5-bis(methoxycarbonyl)-2,6-dihydro-1,3-oxazin-3-yl]benzoic acid
CID 168601308
dimethyl 3-(4-methoxycarbonyl-2-methylphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168600780
dimethyl 3-[2-(methylcarbamoyl)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168635834
dimethyl 3-[5-methyl-2-(2,2,2-trifluoroethoxy)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168633095
dimethyl 3-[2-(4-benzoylpiperazine-1-carbonyl)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168633710
dimethyl 3-[2-[(3-methylphenyl)methylcarbamoyl]phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168632482
dimethyl 3-[5-chloro-2-(ethylamino)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168632212
5-[[2-[4,5-bis(methoxycarbonyl)-2,6-dihydro-1,3-oxazin-3-yl]-4-methylphenoxy]methyl]furan-2-carboxylic acid
CID 168633998
dimethyl 3-(4-fluoro-2-formylphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168634660
dimethyl 3-(4-bromonaphthalen-1-yl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168631546

Frequently Asked Questions

What is the IUPAC name of dimethyl 3-(2-benzamido-5-methylphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate?
The IUPAC name of dimethyl 3-(2-benzamido-5-methylphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate (CID 168632952) is dimethyl 3-(2-benzamido-5-methylphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate.
What is the SMILES notation for dimethyl 3-(2-benzamido-5-methylphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate?
The canonical SMILES for dimethyl 3-(2-benzamido-5-methylphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate is COC(=O)C1=C(C(=O)OC)N(c2cc(C)ccc2NC(=O)c2ccccc2)COC1.
What is the InChIKey of dimethyl 3-(2-benzamido-5-methylphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate?
The InChIKey is GOTHKDBAFOOXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O6/c1-14-9-10-17(23-20(25)15-7-5-4-6-8-15)18(11-14)24-13-30-12-16(21(26)28-2)19(24)22(27)29-3/h4-11H,12-13H2,1-3H3,(H,23,25).
What are the key properties of dimethyl 3-(2-benzamido-5-methylphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate?
dimethyl 3-(2-benzamido-5-methylphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate has a molecular weight of 410.43 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-(2-benzamido-5-methylphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate is sourced from PubChem (CID 168632952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).