5-O-ethyl 3-O-methyl 2,6-dimethyl-4-propyl-1,4-dihydropyridine-3,5-dicarboxylate

C15H23NO4 — CID 10493084

IUPAC5-O-ethyl 3-O-methyl 2,6-dimethyl-4-propyl-1,4-dihydropyridine-3,5-dicarboxylate
SMILESCCCC1C(C(=O)OC)=C(C)NC(C)=C1C(=O)OCC
InChIInChI=1S/C15H23NO4/c1-6-8-11-12(14(17)19-5)9(3)16-10(4)13(11)15(18)20-7-2/h11,16H,6-8H2,1-5H3
InChIKeyVJISNZJOUUTMFE-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.29
Rot. Bonds5

About 5-O-ethyl 3-O-methyl 2,6-dimethyl-4-propyl-1,4-dihydropyridine-3,5-dicarboxylate

5-O-ethyl 3-O-methyl 2,6-dimethyl-4-propyl-1,4-dihydropyridine-3,5-dicarboxylate (PubChem CID 10493084) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 5-O-ethyl 3-O-methyl 2,6-dimethyl-4-propyl-1,4-dihydropyridine-3,5-dicarboxylate.

Molecular Properties

Compound Name5-O-ethyl 3-O-methyl 2,6-dimethyl-4-propyl-1,4-dihydropyridine-3,5-dicarboxylate
PubChem CID10493084
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name5-O-ethyl 3-O-methyl 2,6-dimethyl-4-propyl-1,4-dihydropyridine-3,5-dicarboxylate
SMILESCCCC1C(C(=O)OC)=C(C)NC(C)=C1C(=O)OCC
InChIInChI=1S/C15H23NO4/c1-6-8-11-12(14(17)19-5)9(3)16-10(4)13(11)15(18)20-7-2/h11,16H,6-8H2,1-5H3
InChIKeyVJISNZJOUUTMFE-UHFFFAOYSA-N
XLogP2.29
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-O-ethyl 3-O-methyl 2,6-dimethyl-4-propyl-1,4-dihydropyridine-3,5-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-O-ethyl 3-O-methyl 2,6-dimethyl-4-propyl-1,4-dihydropyridine-3,5-dicarboxylate?
The IUPAC name of 5-O-ethyl 3-O-methyl 2,6-dimethyl-4-propyl-1,4-dihydropyridine-3,5-dicarboxylate (CID 10493084) is 5-O-ethyl 3-O-methyl 2,6-dimethyl-4-propyl-1,4-dihydropyridine-3,5-dicarboxylate.
What is the SMILES notation for 5-O-ethyl 3-O-methyl 2,6-dimethyl-4-propyl-1,4-dihydropyridine-3,5-dicarboxylate?
The canonical SMILES for 5-O-ethyl 3-O-methyl 2,6-dimethyl-4-propyl-1,4-dihydropyridine-3,5-dicarboxylate is CCCC1C(C(=O)OC)=C(C)NC(C)=C1C(=O)OCC.
What is the InChIKey of 5-O-ethyl 3-O-methyl 2,6-dimethyl-4-propyl-1,4-dihydropyridine-3,5-dicarboxylate?
The InChIKey is VJISNZJOUUTMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-6-8-11-12(14(17)19-5)9(3)16-10(4)13(11)15(18)20-7-2/h11,16H,6-8H2,1-5H3.
What are the key properties of 5-O-ethyl 3-O-methyl 2,6-dimethyl-4-propyl-1,4-dihydropyridine-3,5-dicarboxylate?
5-O-ethyl 3-O-methyl 2,6-dimethyl-4-propyl-1,4-dihydropyridine-3,5-dicarboxylate has a molecular weight of 281.35 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-O-ethyl 3-O-methyl 2,6-dimethyl-4-propyl-1,4-dihydropyridine-3,5-dicarboxylate is sourced from PubChem (CID 10493084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).