diethyl 2,6-dimethyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate

C18H23NO5 — CID 680018

IUPACdiethyl 2,6-dimethyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate
SMILESCCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccc(C)o1
InChIInChI=1S/C18H23NO5/c1-6-22-17(20)14-11(4)19-12(5)15(18(21)23-7-2)16(14)13-9-8-10(3)24-13/h8-9,16,19H,6-7H2,1-5H3
InChIKeyHTSIOLCRLRZCFH-UHFFFAOYSA-N
MW333.38 g/mol
LogP2.95
Rot. Bonds5

About diethyl 2,6-dimethyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate

diethyl 2,6-dimethyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate (PubChem CID 680018) has the molecular formula C18H23NO5 and a molecular weight of 333.38 g/mol. Its IUPAC name is diethyl 2,6-dimethyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 2,6-dimethyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate
PubChem CID680018
Molecular FormulaC18H23NO5
Molecular Weight333.38 g/mol
Exact Mass333.16
IUPAC Namediethyl 2,6-dimethyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate
SMILESCCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccc(C)o1
InChIInChI=1S/C18H23NO5/c1-6-22-17(20)14-11(4)19-12(5)15(18(21)23-7-2)16(14)13-9-8-10(3)24-13/h8-9,16,19H,6-7H2,1-5H3
InChIKeyHTSIOLCRLRZCFH-UHFFFAOYSA-N
XLogP2.95
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of diethyl 2,6-dimethyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate?
The IUPAC name of diethyl 2,6-dimethyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate (CID 680018) is diethyl 2,6-dimethyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate.
What is the SMILES notation for diethyl 2,6-dimethyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate?
The canonical SMILES for diethyl 2,6-dimethyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate is CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccc(C)o1.
What is the InChIKey of diethyl 2,6-dimethyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate?
The InChIKey is HTSIOLCRLRZCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO5/c1-6-22-17(20)14-11(4)19-12(5)15(18(21)23-7-2)16(14)13-9-8-10(3)24-13/h8-9,16,19H,6-7H2,1-5H3.
What are the key properties of diethyl 2,6-dimethyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate?
diethyl 2,6-dimethyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate has a molecular weight of 333.38 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2,6-dimethyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate is sourced from PubChem (CID 680018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).