dimethyl 2,6-dimethyl-4-(2-methylpropyl)-1,4-dihydropyridine-3,5-dicarboxylate

C15H23NO4 — CID 11403277

IUPACdimethyl 2,6-dimethyl-4-(2-methylpropyl)-1,4-dihydropyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1CC(C)C
InChIInChI=1S/C15H23NO4/c1-8(2)7-11-12(14(17)19-5)9(3)16-10(4)13(11)15(18)20-6/h8,11,16H,7H2,1-6H3
InChIKeyQKJJLHREYPDKJH-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.15
Rot. Bonds4

About dimethyl 2,6-dimethyl-4-(2-methylpropyl)-1,4-dihydropyridine-3,5-dicarboxylate

dimethyl 2,6-dimethyl-4-(2-methylpropyl)-1,4-dihydropyridine-3,5-dicarboxylate (PubChem CID 11403277) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is dimethyl 2,6-dimethyl-4-(2-methylpropyl)-1,4-dihydropyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2,6-dimethyl-4-(2-methylpropyl)-1,4-dihydropyridine-3,5-dicarboxylate
PubChem CID11403277
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Namedimethyl 2,6-dimethyl-4-(2-methylpropyl)-1,4-dihydropyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1CC(C)C
InChIInChI=1S/C15H23NO4/c1-8(2)7-11-12(14(17)19-5)9(3)16-10(4)13(11)15(18)20-6/h8,11,16H,7H2,1-6H3
InChIKeyQKJJLHREYPDKJH-UHFFFAOYSA-N
XLogP2.15
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of dimethyl 2,6-dimethyl-4-(2-methylpropyl)-1,4-dihydropyridine-3,5-dicarboxylate?
The IUPAC name of dimethyl 2,6-dimethyl-4-(2-methylpropyl)-1,4-dihydropyridine-3,5-dicarboxylate (CID 11403277) is dimethyl 2,6-dimethyl-4-(2-methylpropyl)-1,4-dihydropyridine-3,5-dicarboxylate.
What is the SMILES notation for dimethyl 2,6-dimethyl-4-(2-methylpropyl)-1,4-dihydropyridine-3,5-dicarboxylate?
The canonical SMILES for dimethyl 2,6-dimethyl-4-(2-methylpropyl)-1,4-dihydropyridine-3,5-dicarboxylate is COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1CC(C)C.
What is the InChIKey of dimethyl 2,6-dimethyl-4-(2-methylpropyl)-1,4-dihydropyridine-3,5-dicarboxylate?
The InChIKey is QKJJLHREYPDKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-8(2)7-11-12(14(17)19-5)9(3)16-10(4)13(11)15(18)20-6/h8,11,16H,7H2,1-6H3.
What are the key properties of dimethyl 2,6-dimethyl-4-(2-methylpropyl)-1,4-dihydropyridine-3,5-dicarboxylate?
dimethyl 2,6-dimethyl-4-(2-methylpropyl)-1,4-dihydropyridine-3,5-dicarboxylate has a molecular weight of 281.35 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2,6-dimethyl-4-(2-methylpropyl)-1,4-dihydropyridine-3,5-dicarboxylate is sourced from PubChem (CID 11403277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).