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

C19H23NO5 — CID 19176747

IUPACdimethyl 4-(2-ethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
SMILESCCOc1ccccc1C1C(C(=O)OC)=C(C)NC(C)=C1C(=O)OC
InChIInChI=1S/C19H23NO5/c1-6-25-14-10-8-7-9-13(14)17-15(18(21)23-4)11(2)20-12(3)16(17)19(22)24-5/h7-10,17,20H,6H2,1-5H3
InChIKeyINRHNPMFYJLTKW-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.67
Rot. Bonds5

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

dimethyl 4-(2-ethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate (PubChem CID 19176747) has the molecular formula C19H23NO5 and a molecular weight of 345.40 g/mol. Its IUPAC name is dimethyl 4-(2-ethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-(2-ethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
PubChem CID19176747
Molecular FormulaC19H23NO5
Molecular Weight345.40 g/mol
Exact Mass345.16
IUPAC Namedimethyl 4-(2-ethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
SMILESCCOc1ccccc1C1C(C(=O)OC)=C(C)NC(C)=C1C(=O)OC
InChIInChI=1S/C19H23NO5/c1-6-25-14-10-8-7-9-13(14)17-15(18(21)23-4)11(2)20-12(3)16(17)19(22)24-5/h7-10,17,20H,6H2,1-5H3
InChIKeyINRHNPMFYJLTKW-UHFFFAOYSA-N
XLogP2.67
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of dimethyl 4-(2-ethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate?
The IUPAC name of dimethyl 4-(2-ethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate (CID 19176747) is dimethyl 4-(2-ethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate.
What is the SMILES notation for dimethyl 4-(2-ethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate?
The canonical SMILES for dimethyl 4-(2-ethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate is CCOc1ccccc1C1C(C(=O)OC)=C(C)NC(C)=C1C(=O)OC.
What is the InChIKey of dimethyl 4-(2-ethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate?
The InChIKey is INRHNPMFYJLTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO5/c1-6-25-14-10-8-7-9-13(14)17-15(18(21)23-4)11(2)20-12(3)16(17)19(22)24-5/h7-10,17,20H,6H2,1-5H3.
What are the key properties of dimethyl 4-(2-ethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate?
dimethyl 4-(2-ethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate has a molecular weight of 345.40 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-(2-ethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate is sourced from PubChem (CID 19176747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).