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

C14H21NO4 — CID 3466940

IUPACdimethyl 2,6-dimethyl-4-propyl-1,4-dihydropyridine-3,5-dicarboxylate
SMILESCCCC1C(C(=O)OC)=C(C)NC(C)=C1C(=O)OC
InChIInChI=1S/C14H21NO4/c1-6-7-10-11(13(16)18-4)8(2)15-9(3)12(10)14(17)19-5/h10,15H,6-7H2,1-5H3
InChIKeyXUVYCXPLRPBFFP-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.90
Rot. Bonds4

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

dimethyl 2,6-dimethyl-4-propyl-1,4-dihydropyridine-3,5-dicarboxylate (PubChem CID 3466940) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is dimethyl 2,6-dimethyl-4-propyl-1,4-dihydropyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2,6-dimethyl-4-propyl-1,4-dihydropyridine-3,5-dicarboxylate
PubChem CID3466940
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Namedimethyl 2,6-dimethyl-4-propyl-1,4-dihydropyridine-3,5-dicarboxylate
SMILESCCCC1C(C(=O)OC)=C(C)NC(C)=C1C(=O)OC
InChIInChI=1S/C14H21NO4/c1-6-7-10-11(13(16)18-4)8(2)15-9(3)12(10)14(17)19-5/h10,15H,6-7H2,1-5H3
InChIKeyXUVYCXPLRPBFFP-UHFFFAOYSA-N
XLogP1.90
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.90
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-propyl-1,4-dihydropyridine-3,5-dicarboxylate?
The IUPAC name of dimethyl 2,6-dimethyl-4-propyl-1,4-dihydropyridine-3,5-dicarboxylate (CID 3466940) is dimethyl 2,6-dimethyl-4-propyl-1,4-dihydropyridine-3,5-dicarboxylate.
What is the SMILES notation for dimethyl 2,6-dimethyl-4-propyl-1,4-dihydropyridine-3,5-dicarboxylate?
The canonical SMILES for dimethyl 2,6-dimethyl-4-propyl-1,4-dihydropyridine-3,5-dicarboxylate is CCCC1C(C(=O)OC)=C(C)NC(C)=C1C(=O)OC.
What is the InChIKey of dimethyl 2,6-dimethyl-4-propyl-1,4-dihydropyridine-3,5-dicarboxylate?
The InChIKey is XUVYCXPLRPBFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-6-7-10-11(13(16)18-4)8(2)15-9(3)12(10)14(17)19-5/h10,15H,6-7H2,1-5H3.
What are the key properties of dimethyl 2,6-dimethyl-4-propyl-1,4-dihydropyridine-3,5-dicarboxylate?
dimethyl 2,6-dimethyl-4-propyl-1,4-dihydropyridine-3,5-dicarboxylate has a molecular weight of 267.32 g/mol, XLogP of 1.90, 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-propyl-1,4-dihydropyridine-3,5-dicarboxylate is sourced from PubChem (CID 3466940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).