3,5-Didodecyl 1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylate

C₃₃H₅₉NO₄CAS 36265-41-5533.84 g/mol

Open in Covalent MOL file

Alkene Ester Secondary amine

Properties

Molecular formula: C₃₃H₅₉NO₄
Molar mass: 533.84 g/mol
Exact mass: 533.4444 Da
Melting point: 93–94 °C
logP: 9.46Crippen estimate
Polar surface area: 64.6 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 24

Identifiers

CAS number

36265-41-5

SMILES

CCCCCCCCCCCCOC(=O)C1=C(C)NC(C)=C(C(=O)OCCCCCCCCCCCC)C1

InChIKey

VEUDMQNHACTHAL-UHFFFAOYSA-N

InChI

InChI=1S/C33H59NO4/c1-5-7-9-11-13-15-17-19-21-23-25-37-32(35)30-27-31(29(4)34-28(30)3)33(36)38-26-24-22-20-18-16-14-12-10-8-6-2/h34H,5-27H2,1-4H3

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Names and synonyms

7 names

3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-, 3,5-didodecyl ester
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-, didodecyl ester
Dilauryl 1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylate
Didodecyl 1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate
2,6-Dimethyl-3,5-didodecyloxycarbonyl-1,4-dihydropyridine
2,6-Dimethyl-3,5-dilauryloxycarbonyl-1,4-dihydropyridine
Stavinor D 507

Work with 3,5-Didodecyl 1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

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Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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