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

C19H23NO4 — CID 717289

IUPACdimethyl 4-(4-ethylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
SMILESCCc1ccc(C2C(C(=O)OC)=C(C)NC(C)=C2C(=O)OC)cc1
InChIInChI=1S/C19H23NO4/c1-6-13-7-9-14(10-8-13)17-15(18(21)23-4)11(2)20-12(3)16(17)19(22)24-5/h7-10,17,20H,6H2,1-5H3
InChIKeyXOYBHGRMHXZOMH-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.83
Rot. Bonds4

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

dimethyl 4-(4-ethylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate (PubChem CID 717289) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is dimethyl 4-(4-ethylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-(4-ethylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
PubChem CID717289
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Namedimethyl 4-(4-ethylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
SMILESCCc1ccc(C2C(C(=O)OC)=C(C)NC(C)=C2C(=O)OC)cc1
InChIInChI=1S/C19H23NO4/c1-6-13-7-9-14(10-8-13)17-15(18(21)23-4)11(2)20-12(3)16(17)19(22)24-5/h7-10,17,20H,6H2,1-5H3
InChIKeyXOYBHGRMHXZOMH-UHFFFAOYSA-N
XLogP2.83
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Lacidipine
CID 5311217
1,4-Dihydro-2,6-dimethyl-4-phenyl-3,5-pyridinecarboxylic acid dimethyl ester
CID 129839
Diethyl 2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 14420
Dimethyl 4-(2-bromophenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate
CID 614305
Dimethyl 4-(2-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 737062
Dimethyl 4-(4-fluorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 726136
Diethyl 4-(4-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 285815
3,5-Dimethyl 1,4-dihydro-2,6-dimethyl-4-(2-(trifluoromethyl)phenyl)-3,5-pyridinedicarboxylate
CID 3040958
Dimethyl 4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 704258
Diisopropyl 2,6-dimethyl-4-(4-methyl-PH)-1,4-dihydro-3,5-pyridinedicarboxylate
CID 1523963
3,5-Dimethyl 2,6-dimethyl-4-[4-(propan-2-yl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate
CID 717286
3,5-Dimethyl 1,4-dihydro-2,6-dimethyl-4-(4-methylphenyl)-3,5-pyridinedicarboxylate
CID 726130

Frequently Asked Questions

What is the IUPAC name of dimethyl 4-(4-ethylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate?
The IUPAC name of dimethyl 4-(4-ethylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate (CID 717289) is dimethyl 4-(4-ethylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate.
What is the SMILES notation for dimethyl 4-(4-ethylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate?
The canonical SMILES for dimethyl 4-(4-ethylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate is CCc1ccc(C2C(C(=O)OC)=C(C)NC(C)=C2C(=O)OC)cc1.
What is the InChIKey of dimethyl 4-(4-ethylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate?
The InChIKey is XOYBHGRMHXZOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c1-6-13-7-9-14(10-8-13)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-(4-ethylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate?
dimethyl 4-(4-ethylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate has a molecular weight of 329.40 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-(4-ethylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate is sourced from PubChem (CID 717289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).