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

C20H25NO4 — CID 717286

IUPACdimethyl 2,6-dimethyl-4-(4-propan-2-ylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc(C(C)C)cc1
InChIInChI=1S/C20H25NO4/c1-11(2)14-7-9-15(10-8-14)18-16(19(22)24-5)12(3)21-13(4)17(18)20(23)25-6/h7-11,18,21H,1-6H3
InChIKeyKIDDUMMFQDUTSG-UHFFFAOYSA-N
MW343.42 g/mol
LogP3.39
Rot. Bonds4

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

dimethyl 2,6-dimethyl-4-(4-propan-2-ylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate (PubChem CID 717286) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is dimethyl 2,6-dimethyl-4-(4-propan-2-ylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2,6-dimethyl-4-(4-propan-2-ylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
PubChem CID717286
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC Namedimethyl 2,6-dimethyl-4-(4-propan-2-ylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc(C(C)C)cc1
InChIInChI=1S/C20H25NO4/c1-11(2)14-7-9-15(10-8-14)18-16(19(22)24-5)12(3)21-13(4)17(18)20(23)25-6/h7-11,18,21H,1-6H3
InChIKeyKIDDUMMFQDUTSG-UHFFFAOYSA-N
XLogP3.39
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 53.39
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-(4-propan-2-ylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate?
The IUPAC name of dimethyl 2,6-dimethyl-4-(4-propan-2-ylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate (CID 717286) is dimethyl 2,6-dimethyl-4-(4-propan-2-ylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate.
What is the SMILES notation for dimethyl 2,6-dimethyl-4-(4-propan-2-ylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate?
The canonical SMILES for dimethyl 2,6-dimethyl-4-(4-propan-2-ylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate is COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc(C(C)C)cc1.
What is the InChIKey of dimethyl 2,6-dimethyl-4-(4-propan-2-ylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate?
The InChIKey is KIDDUMMFQDUTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c1-11(2)14-7-9-15(10-8-14)18-16(19(22)24-5)12(3)21-13(4)17(18)20(23)25-6/h7-11,18,21H,1-6H3.
What are the key properties of dimethyl 2,6-dimethyl-4-(4-propan-2-ylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate?
dimethyl 2,6-dimethyl-4-(4-propan-2-ylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate has a molecular weight of 343.42 g/mol, XLogP of 3.39, 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-(4-propan-2-ylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate is sourced from PubChem (CID 717286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).