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

C20H26N2O6 — CID 168632337

IUPACdimethyl 3-[4-(2,2-dimethylpropanoylamino)-3-methylphenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)N(c2ccc(NC(=O)C(C)(C)C)c(C)c2)COC1
InChIInChI=1S/C20H26N2O6/c1-12-9-13(7-8-15(12)21-19(25)20(2,3)4)22-11-28-10-14(17(23)26-5)16(22)18(24)27-6/h7-9H,10-11H2,1-6H3,(H,21,25)
InChIKeyDNOPHTADXSBMDM-UHFFFAOYSA-N
MW390.44 g/mol
LogP2.37
Rot. Bonds4

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

dimethyl 3-[4-(2,2-dimethylpropanoylamino)-3-methylphenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate (PubChem CID 168632337) has the molecular formula C20H26N2O6 and a molecular weight of 390.44 g/mol. Its IUPAC name is dimethyl 3-[4-(2,2-dimethylpropanoylamino)-3-methylphenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3-[4-(2,2-dimethylpropanoylamino)-3-methylphenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
PubChem CID168632337
Molecular FormulaC20H26N2O6
Molecular Weight390.44 g/mol
Exact Mass390.18
IUPAC Namedimethyl 3-[4-(2,2-dimethylpropanoylamino)-3-methylphenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)N(c2ccc(NC(=O)C(C)(C)C)c(C)c2)COC1
InChIInChI=1S/C20H26N2O6/c1-12-9-13(7-8-15(12)21-19(25)20(2,3)4)22-11-28-10-14(17(23)26-5)16(22)18(24)27-6/h7-9H,10-11H2,1-6H3,(H,21,25)
InChIKeyDNOPHTADXSBMDM-UHFFFAOYSA-N
XLogP2.37
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze dimethyl 3-[4-(2,2-dimethylpropanoylamino)-3-methylphenyl]-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-benzamido-3-methylphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168633964
dimethyl 3-[3-(methanesulfonamido)-4-methylphenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168632138
dimethyl 3-(4-hydroxyphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168600765
dimethyl 3-(4-chloro-3-methoxycarbonylphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168631595
dimethyl 3-[4-(4-acetylpiperazin-1-yl)-3-methylphenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168633677
dimethyl 3-(4-methoxyphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 102280773
dimethyl 3-[4-(trifluoromethyl)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168631943
dimethyl 3-(4-methyl-2-oxo-1H-quinolin-6-yl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168634020
dimethyl 3-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168632800
dimethyl 3-(2-oxo-1,3-dihydroinden-5-yl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168635496
dimethyl 3-(2-methyl-4-pyrrolidin-1-ylphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168633036
dimethyl 3-[3-iodo-4-(trifluoromethyl)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168635027

Frequently Asked Questions

What is the IUPAC name of dimethyl 3-[4-(2,2-dimethylpropanoylamino)-3-methylphenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate?
The IUPAC name of dimethyl 3-[4-(2,2-dimethylpropanoylamino)-3-methylphenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate (CID 168632337) is dimethyl 3-[4-(2,2-dimethylpropanoylamino)-3-methylphenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate.
What is the SMILES notation for dimethyl 3-[4-(2,2-dimethylpropanoylamino)-3-methylphenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate?
The canonical SMILES for dimethyl 3-[4-(2,2-dimethylpropanoylamino)-3-methylphenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate is COC(=O)C1=C(C(=O)OC)N(c2ccc(NC(=O)C(C)(C)C)c(C)c2)COC1.
What is the InChIKey of dimethyl 3-[4-(2,2-dimethylpropanoylamino)-3-methylphenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate?
The InChIKey is DNOPHTADXSBMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O6/c1-12-9-13(7-8-15(12)21-19(25)20(2,3)4)22-11-28-10-14(17(23)26-5)16(22)18(24)27-6/h7-9H,10-11H2,1-6H3,(H,21,25).
What are the key properties of dimethyl 3-[4-(2,2-dimethylpropanoylamino)-3-methylphenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate?
dimethyl 3-[4-(2,2-dimethylpropanoylamino)-3-methylphenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate has a molecular weight of 390.44 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-[4-(2,2-dimethylpropanoylamino)-3-methylphenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate is sourced from PubChem (CID 168632337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).