dimethyl 4-[4-(furan-2-carbonyloxy)-3-methoxyphenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

C23H23NO8 — CID 34256749

IUPACdimethyl 4-[4-(furan-2-carbonyloxy)-3-methoxyphenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc(OC(=O)c2ccco2)c(OC)c1
InChIInChI=1S/C23H23NO8/c1-12-18(22(26)29-4)20(19(13(2)24-12)23(27)30-5)14-8-9-15(17(11-14)28-3)32-21(25)16-7-6-10-31-16/h6-11,20,24H,1-5H3
InChIKeyXOWPYAOGKCCZHK-UHFFFAOYSA-N
MW441.44 g/mol
LogP3.09
Rot. Bonds6

About dimethyl 4-[4-(furan-2-carbonyloxy)-3-methoxyphenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

dimethyl 4-[4-(furan-2-carbonyloxy)-3-methoxyphenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate (PubChem CID 34256749) has the molecular formula C23H23NO8 and a molecular weight of 441.44 g/mol. Its IUPAC name is dimethyl 4-[4-(furan-2-carbonyloxy)-3-methoxyphenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-[4-(furan-2-carbonyloxy)-3-methoxyphenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
PubChem CID34256749
Molecular FormulaC23H23NO8
Molecular Weight441.44 g/mol
Exact Mass441.14
IUPAC Namedimethyl 4-[4-(furan-2-carbonyloxy)-3-methoxyphenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc(OC(=O)c2ccco2)c(OC)c1
InChIInChI=1S/C23H23NO8/c1-12-18(22(26)29-4)20(19(13(2)24-12)23(27)30-5)14-8-9-15(17(11-14)28-3)32-21(25)16-7-6-10-31-16/h6-11,20,24H,1-5H3
InChIKeyXOWPYAOGKCCZHK-UHFFFAOYSA-N
XLogP3.09
TPSA113.30 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.44
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze dimethyl 4-[4-(furan-2-carbonyloxy)-3-methoxyphenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dimethyl 4-[4-(furan-2-carbonyloxy)-3-methoxyphenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate?
The IUPAC name of dimethyl 4-[4-(furan-2-carbonyloxy)-3-methoxyphenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate (CID 34256749) is dimethyl 4-[4-(furan-2-carbonyloxy)-3-methoxyphenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate.
What is the SMILES notation for dimethyl 4-[4-(furan-2-carbonyloxy)-3-methoxyphenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate?
The canonical SMILES for dimethyl 4-[4-(furan-2-carbonyloxy)-3-methoxyphenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate is COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc(OC(=O)c2ccco2)c(OC)c1.
What is the InChIKey of dimethyl 4-[4-(furan-2-carbonyloxy)-3-methoxyphenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate?
The InChIKey is XOWPYAOGKCCZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO8/c1-12-18(22(26)29-4)20(19(13(2)24-12)23(27)30-5)14-8-9-15(17(11-14)28-3)32-21(25)16-7-6-10-31-16/h6-11,20,24H,1-5H3.
What are the key properties of dimethyl 4-[4-(furan-2-carbonyloxy)-3-methoxyphenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate?
dimethyl 4-[4-(furan-2-carbonyloxy)-3-methoxyphenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate has a molecular weight of 441.44 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-[4-(furan-2-carbonyloxy)-3-methoxyphenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate is sourced from PubChem (CID 34256749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).