dimethyl 3-[2-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate

C21H26N2O8 — CID 168634470

IUPACdimethyl 3-[2-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)N(c2ccc(OCC(=O)N3CCOCC3)cc2C)COC1
InChIInChI=1S/C21H26N2O8/c1-14-10-15(31-12-18(24)22-6-8-29-9-7-22)4-5-17(14)23-13-30-11-16(20(25)27-2)19(23)21(26)28-3/h4-5,10H,6-9,11-13H2,1-3H3
InChIKeyNNWUAZFEFBZWDJ-UHFFFAOYSA-N
MW434.45 g/mol
LogP0.63
Rot. Bonds6

About dimethyl 3-[2-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate

dimethyl 3-[2-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate (PubChem CID 168634470) has the molecular formula C21H26N2O8 and a molecular weight of 434.45 g/mol. Its IUPAC name is dimethyl 3-[2-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3-[2-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
PubChem CID168634470
Molecular FormulaC21H26N2O8
Molecular Weight434.45 g/mol
Exact Mass434.17
IUPAC Namedimethyl 3-[2-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)N(c2ccc(OCC(=O)N3CCOCC3)cc2C)COC1
InChIInChI=1S/C21H26N2O8/c1-14-10-15(31-12-18(24)22-6-8-29-9-7-22)4-5-17(14)23-13-30-11-16(20(25)27-2)19(23)21(26)28-3/h4-5,10H,6-9,11-13H2,1-3H3
InChIKeyNNWUAZFEFBZWDJ-UHFFFAOYSA-N
XLogP0.63
TPSA103.84 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.45
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze dimethyl 3-[2-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dimethyl 3-(4-methoxycarbonyl-2-methylphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168600780
dimethyl 3-[3,5-dimethyl-4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168635140
dimethyl 3-(2-methyl-4-pyrrolidin-1-ylphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168633036
dimethyl 3-[5-(hydroxymethyl)-2-methylphenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168631878
dimethyl 3-[4-(2-amino-2-oxoethoxy)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168632873
2-(4-methylphenoxy)-1-morpholin-4-ylethanone
CID 674914
2-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide
CID 82915625
2-[4,5-bis(methoxycarbonyl)-2,6-dihydro-1,3-oxazin-3-yl]-5-bromobenzoic acid
CID 168636087
2-(4-isocyanato-3-methylphenoxy)-1-morpholin-4-ylethanone
CID 169354502
dimethyl 3-(2-ethoxycarbonyl-4-iodophenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168631450
dimethyl 3-[2-methyl-5-(propanoylamino)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168632363
dimethyl 3-[5-methyl-2-(2,2,2-trifluoroethoxy)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168633095

Frequently Asked Questions

What is the IUPAC name of dimethyl 3-[2-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate?
The IUPAC name of dimethyl 3-[2-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate (CID 168634470) is dimethyl 3-[2-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate.
What is the SMILES notation for dimethyl 3-[2-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate?
The canonical SMILES for dimethyl 3-[2-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate is COC(=O)C1=C(C(=O)OC)N(c2ccc(OCC(=O)N3CCOCC3)cc2C)COC1.
What is the InChIKey of dimethyl 3-[2-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate?
The InChIKey is NNWUAZFEFBZWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O8/c1-14-10-15(31-12-18(24)22-6-8-29-9-7-22)4-5-17(14)23-13-30-11-16(20(25)27-2)19(23)21(26)28-3/h4-5,10H,6-9,11-13H2,1-3H3.
What are the key properties of dimethyl 3-[2-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate?
dimethyl 3-[2-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate has a molecular weight of 434.45 g/mol, XLogP of 0.63, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-[2-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate is sourced from PubChem (CID 168634470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).