diethyl 2,6-diethoxy-1,4-dihydropyridine-3,5-dicarboxylate

C15H23NO6 — CID 66922689

IUPACdiethyl 2,6-diethoxy-1,4-dihydropyridine-3,5-dicarboxylate
SMILESCCOC(=O)C1=C(OCC)NC(OCC)=C(C(=O)OCC)C1
InChIInChI=1S/C15H23NO6/c1-5-19-12-10(14(17)21-7-3)9-11(15(18)22-8-4)13(16-12)20-6-2/h16H,5-9H2,1-4H3
InChIKeyIBZVLOJUJWAQQS-UHFFFAOYSA-N
MW313.35 g/mol
LogP1.60
Rot. Bonds8

About diethyl 2,6-diethoxy-1,4-dihydropyridine-3,5-dicarboxylate

diethyl 2,6-diethoxy-1,4-dihydropyridine-3,5-dicarboxylate (PubChem CID 66922689) has the molecular formula C15H23NO6 and a molecular weight of 313.35 g/mol. Its IUPAC name is diethyl 2,6-diethoxy-1,4-dihydropyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 2,6-diethoxy-1,4-dihydropyridine-3,5-dicarboxylate
PubChem CID66922689
Molecular FormulaC15H23NO6
Molecular Weight313.35 g/mol
Exact Mass313.15
IUPAC Namediethyl 2,6-diethoxy-1,4-dihydropyridine-3,5-dicarboxylate
SMILESCCOC(=O)C1=C(OCC)NC(OCC)=C(C(=O)OCC)C1
InChIInChI=1S/C15H23NO6/c1-5-19-12-10(14(17)21-7-3)9-11(15(18)22-8-4)13(16-12)20-6-2/h16H,5-9H2,1-4H3
InChIKeyIBZVLOJUJWAQQS-UHFFFAOYSA-N
XLogP1.60
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of diethyl 2,6-diethoxy-1,4-dihydropyridine-3,5-dicarboxylate?
The IUPAC name of diethyl 2,6-diethoxy-1,4-dihydropyridine-3,5-dicarboxylate (CID 66922689) is diethyl 2,6-diethoxy-1,4-dihydropyridine-3,5-dicarboxylate.
What is the SMILES notation for diethyl 2,6-diethoxy-1,4-dihydropyridine-3,5-dicarboxylate?
The canonical SMILES for diethyl 2,6-diethoxy-1,4-dihydropyridine-3,5-dicarboxylate is CCOC(=O)C1=C(OCC)NC(OCC)=C(C(=O)OCC)C1.
What is the InChIKey of diethyl 2,6-diethoxy-1,4-dihydropyridine-3,5-dicarboxylate?
The InChIKey is IBZVLOJUJWAQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO6/c1-5-19-12-10(14(17)21-7-3)9-11(15(18)22-8-4)13(16-12)20-6-2/h16H,5-9H2,1-4H3.
What are the key properties of diethyl 2,6-diethoxy-1,4-dihydropyridine-3,5-dicarboxylate?
diethyl 2,6-diethoxy-1,4-dihydropyridine-3,5-dicarboxylate has a molecular weight of 313.35 g/mol, XLogP of 1.60, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2,6-diethoxy-1,4-dihydropyridine-3,5-dicarboxylate is sourced from PubChem (CID 66922689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).