bis(prop-2-enyl) 4-(4-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

C22H25NO5 — CID 2892105

IUPACbis(prop-2-enyl) 4-(4-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
SMILESC=CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC=C)C1c1ccc(OC)cc1
InChIInChI=1S/C22H25NO5/c1-6-12-27-21(24)18-14(3)23-15(4)19(22(25)28-13-7-2)20(18)16-8-10-17(26-5)11-9-16/h6-11,20,23H,1-2,12-13H2,3-5H3
InChIKeyIDQIWPYGXKMQDT-UHFFFAOYSA-N
MW383.44 g/mol
LogP3.39
Rot. Bonds8

About bis(prop-2-enyl) 4-(4-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

bis(prop-2-enyl) 4-(4-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate (PubChem CID 2892105) has the molecular formula C22H25NO5 and a molecular weight of 383.44 g/mol. Its IUPAC name is bis(prop-2-enyl) 4-(4-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namebis(prop-2-enyl) 4-(4-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
PubChem CID2892105
Molecular FormulaC22H25NO5
Molecular Weight383.44 g/mol
Exact Mass383.17
IUPAC Namebis(prop-2-enyl) 4-(4-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
SMILESC=CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC=C)C1c1ccc(OC)cc1
InChIInChI=1S/C22H25NO5/c1-6-12-27-21(24)18-14(3)23-15(4)19(22(25)28-13-7-2)20(18)16-8-10-17(26-5)11-9-16/h6-11,20,23H,1-2,12-13H2,3-5H3
InChIKeyIDQIWPYGXKMQDT-UHFFFAOYSA-N
XLogP3.39
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 53.39
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-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate?
The IUPAC name of bis(prop-2-enyl) 4-(4-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate (CID 2892105) is bis(prop-2-enyl) 4-(4-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate.
What is the SMILES notation for bis(prop-2-enyl) 4-(4-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate?
The canonical SMILES for bis(prop-2-enyl) 4-(4-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate is C=CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC=C)C1c1ccc(OC)cc1.
What is the InChIKey of bis(prop-2-enyl) 4-(4-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate?
The InChIKey is IDQIWPYGXKMQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO5/c1-6-12-27-21(24)18-14(3)23-15(4)19(22(25)28-13-7-2)20(18)16-8-10-17(26-5)11-9-16/h6-11,20,23H,1-2,12-13H2,3-5H3.
What are the key properties of bis(prop-2-enyl) 4-(4-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate?
bis(prop-2-enyl) 4-(4-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate has a molecular weight of 383.44 g/mol, XLogP of 3.39, 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-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate is sourced from PubChem (CID 2892105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).