dimethyl 4-methyl-2-(4-methylphenyl)-6-morpholin-4-ylcyclohexa-3,5-diene-1,3-dicarboxylate

C22H27NO5 — CID 14983954

IUPACdimethyl 4-methyl-2-(4-methylphenyl)-6-morpholin-4-ylcyclohexa-3,5-diene-1,3-dicarboxylate
SMILESCOC(=O)C1=C(C)C=C(N2CCOCC2)C(C(=O)OC)C1c1ccc(C)cc1
InChIInChI=1S/C22H27NO5/c1-14-5-7-16(8-6-14)19-18(21(24)26-3)15(2)13-17(20(19)22(25)27-4)23-9-11-28-12-10-23/h5-8,13,19-20H,9-12H2,1-4H3
InChIKeyDYCHZORTFPKNLH-UHFFFAOYSA-N
MW385.46 g/mol
LogP2.59
Rot. Bonds4

About dimethyl 4-methyl-2-(4-methylphenyl)-6-morpholin-4-ylcyclohexa-3,5-diene-1,3-dicarboxylate

dimethyl 4-methyl-2-(4-methylphenyl)-6-morpholin-4-ylcyclohexa-3,5-diene-1,3-dicarboxylate (PubChem CID 14983954) has the molecular formula C22H27NO5 and a molecular weight of 385.46 g/mol. Its IUPAC name is dimethyl 4-methyl-2-(4-methylphenyl)-6-morpholin-4-ylcyclohexa-3,5-diene-1,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-methyl-2-(4-methylphenyl)-6-morpholin-4-ylcyclohexa-3,5-diene-1,3-dicarboxylate
PubChem CID14983954
Molecular FormulaC22H27NO5
Molecular Weight385.46 g/mol
Exact Mass385.19
IUPAC Namedimethyl 4-methyl-2-(4-methylphenyl)-6-morpholin-4-ylcyclohexa-3,5-diene-1,3-dicarboxylate
SMILESCOC(=O)C1=C(C)C=C(N2CCOCC2)C(C(=O)OC)C1c1ccc(C)cc1
InChIInChI=1S/C22H27NO5/c1-14-5-7-16(8-6-14)19-18(21(24)26-3)15(2)13-17(20(19)22(25)27-4)23-9-11-28-12-10-23/h5-8,13,19-20H,9-12H2,1-4H3
InChIKeyDYCHZORTFPKNLH-UHFFFAOYSA-N
XLogP2.59
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze dimethyl 4-methyl-2-(4-methylphenyl)-6-morpholin-4-ylcyclohexa-3,5-diene-1,3-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 (1R,2S)-2-(4-methoxyphenyl)-4-methyl-6-morpholin-4-ium-4-ylcyclohexa-3,5-diene-1,3-dicarboxylate
CID 7354003
dimethyl (1S,2S)-4-methyl-2-[(2-methyl-5-nitroimidazol-1-yl)methyl]-6-morpholin-4-ylcyclohexa-3,5-diene-1,3-dicarboxylate
CID 101027500
methyl (4S)-6-methyl-4-(4-morpholin-4-ylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7777417
methyl (4R)-4-(4-methylphenyl)-6-(morpholin-4-ylmethyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7457007
dimethyl (1R,2R)-2-(4-fluorophenyl)-6-methyl-4-(4-methylanilino)cyclohexa-3,5-diene-1,3-dicarboxylate
CID 981497
dimethyl 6-methyl-4-(4-methylphenyl)-4,5-dihydropyridazine-3,5-dicarboxylate
CID 57121358
dimethyl 7,10a-dimethyl-9-(4-methylphenyl)-4,5,9,10-tetrahydrofuro[2,3-a]quinolizine-8,10-dicarboxylate
CID 70055909
dimethyl (4R)-4-(4-methoxyphenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate
CID 6925959
methyl 3-methyl-4-morpholin-4-ylbenzoate
CID 67528858
methyl 4-(4-methoxyphenyl)-6-[[4-(4-methylphenyl)piperazin-1-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 46920883
methyl (5R,6S)-5-(4-methoxyphenyl)-7-oxo-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-6-carboxylate
CID 101267772
ethane;methyl 2-chloro-6-morpholin-4-ylbenzoate
CID 144574746

Frequently Asked Questions

What is the IUPAC name of dimethyl 4-methyl-2-(4-methylphenyl)-6-morpholin-4-ylcyclohexa-3,5-diene-1,3-dicarboxylate?
The IUPAC name of dimethyl 4-methyl-2-(4-methylphenyl)-6-morpholin-4-ylcyclohexa-3,5-diene-1,3-dicarboxylate (CID 14983954) is dimethyl 4-methyl-2-(4-methylphenyl)-6-morpholin-4-ylcyclohexa-3,5-diene-1,3-dicarboxylate.
What is the SMILES notation for dimethyl 4-methyl-2-(4-methylphenyl)-6-morpholin-4-ylcyclohexa-3,5-diene-1,3-dicarboxylate?
The canonical SMILES for dimethyl 4-methyl-2-(4-methylphenyl)-6-morpholin-4-ylcyclohexa-3,5-diene-1,3-dicarboxylate is COC(=O)C1=C(C)C=C(N2CCOCC2)C(C(=O)OC)C1c1ccc(C)cc1.
What is the InChIKey of dimethyl 4-methyl-2-(4-methylphenyl)-6-morpholin-4-ylcyclohexa-3,5-diene-1,3-dicarboxylate?
The InChIKey is DYCHZORTFPKNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO5/c1-14-5-7-16(8-6-14)19-18(21(24)26-3)15(2)13-17(20(19)22(25)27-4)23-9-11-28-12-10-23/h5-8,13,19-20H,9-12H2,1-4H3.
What are the key properties of dimethyl 4-methyl-2-(4-methylphenyl)-6-morpholin-4-ylcyclohexa-3,5-diene-1,3-dicarboxylate?
dimethyl 4-methyl-2-(4-methylphenyl)-6-morpholin-4-ylcyclohexa-3,5-diene-1,3-dicarboxylate has a molecular weight of 385.46 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-methyl-2-(4-methylphenyl)-6-morpholin-4-ylcyclohexa-3,5-diene-1,3-dicarboxylate is sourced from PubChem (CID 14983954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).