bis(prop-2-enyl) 4-[4-(dimethylamino)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

C23H28N2O4 — CID 2891565

IUPACbis(prop-2-enyl) 4-[4-(dimethylamino)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
SMILESC=CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC=C)C1c1ccc(N(C)C)cc1
InChIInChI=1S/C23H28N2O4/c1-7-13-28-22(26)19-15(3)24-16(4)20(23(27)29-14-8-2)21(19)17-9-11-18(12-10-17)25(5)6/h7-12,21,24H,1-2,13-14H2,3-6H3
InChIKeyHEOZIWLUGOWCQN-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.45
Rot. Bonds8

About bis(prop-2-enyl) 4-[4-(dimethylamino)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

bis(prop-2-enyl) 4-[4-(dimethylamino)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate (PubChem CID 2891565) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is bis(prop-2-enyl) 4-[4-(dimethylamino)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namebis(prop-2-enyl) 4-[4-(dimethylamino)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
PubChem CID2891565
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Namebis(prop-2-enyl) 4-[4-(dimethylamino)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
SMILESC=CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC=C)C1c1ccc(N(C)C)cc1
InChIInChI=1S/C23H28N2O4/c1-7-13-28-22(26)19-15(3)24-16(4)20(23(27)29-14-8-2)21(19)17-9-11-18(12-10-17)25(5)6/h7-12,21,24H,1-2,13-14H2,3-6H3
InChIKeyHEOZIWLUGOWCQN-UHFFFAOYSA-N
XLogP3.45
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(prop-2-enyl) 4-[4-(dimethylamino)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate?
The IUPAC name of bis(prop-2-enyl) 4-[4-(dimethylamino)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate (CID 2891565) is bis(prop-2-enyl) 4-[4-(dimethylamino)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate.
What is the SMILES notation for bis(prop-2-enyl) 4-[4-(dimethylamino)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate?
The canonical SMILES for bis(prop-2-enyl) 4-[4-(dimethylamino)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate is C=CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC=C)C1c1ccc(N(C)C)cc1.
What is the InChIKey of bis(prop-2-enyl) 4-[4-(dimethylamino)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate?
The InChIKey is HEOZIWLUGOWCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-7-13-28-22(26)19-15(3)24-16(4)20(23(27)29-14-8-2)21(19)17-9-11-18(12-10-17)25(5)6/h7-12,21,24H,1-2,13-14H2,3-6H3.
What are the key properties of bis(prop-2-enyl) 4-[4-(dimethylamino)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate?
bis(prop-2-enyl) 4-[4-(dimethylamino)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate has a molecular weight of 396.49 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(prop-2-enyl) 4-[4-(dimethylamino)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate is sourced from PubChem (CID 2891565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).