5-O-(2-methoxyethyl) 3-O-methyl 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate

C14H21NO5 — CID 10731677

IUPAC5-O-(2-methoxyethyl) 3-O-methyl 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate
SMILESCOCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C
InChIInChI=1S/C14H21NO5/c1-8-11(13(16)19-5)9(2)15-10(3)12(8)14(17)20-7-6-18-4/h8,15H,6-7H2,1-5H3
InChIKeyFODQICSILNZFBH-UHFFFAOYSA-N
MW283.32 g/mol
LogP1.14
Rot. Bonds5

About 5-O-(2-methoxyethyl) 3-O-methyl 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate

5-O-(2-methoxyethyl) 3-O-methyl 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate (PubChem CID 10731677) has the molecular formula C14H21NO5 and a molecular weight of 283.32 g/mol. Its IUPAC name is 5-O-(2-methoxyethyl) 3-O-methyl 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate.

Molecular Properties

Compound Name5-O-(2-methoxyethyl) 3-O-methyl 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate
PubChem CID10731677
Molecular FormulaC14H21NO5
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Name5-O-(2-methoxyethyl) 3-O-methyl 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate
SMILESCOCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C
InChIInChI=1S/C14H21NO5/c1-8-11(13(16)19-5)9(2)15-10(3)12(8)14(17)20-7-6-18-4/h8,15H,6-7H2,1-5H3
InChIKeyFODQICSILNZFBH-UHFFFAOYSA-N
XLogP1.14
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-O-(2-methoxyethyl) 3-O-methyl 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate?
The IUPAC name of 5-O-(2-methoxyethyl) 3-O-methyl 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate (CID 10731677) is 5-O-(2-methoxyethyl) 3-O-methyl 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate.
What is the SMILES notation for 5-O-(2-methoxyethyl) 3-O-methyl 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate?
The canonical SMILES for 5-O-(2-methoxyethyl) 3-O-methyl 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate is COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C.
What is the InChIKey of 5-O-(2-methoxyethyl) 3-O-methyl 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate?
The InChIKey is FODQICSILNZFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO5/c1-8-11(13(16)19-5)9(2)15-10(3)12(8)14(17)20-7-6-18-4/h8,15H,6-7H2,1-5H3.
What are the key properties of 5-O-(2-methoxyethyl) 3-O-methyl 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate?
5-O-(2-methoxyethyl) 3-O-methyl 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate has a molecular weight of 283.32 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-O-(2-methoxyethyl) 3-O-methyl 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate is sourced from PubChem (CID 10731677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).