2,6-dimethyl-4-phenyl-5-[(E)-3-phenylprop-2-enoxy]carbonyl-1,4-dihydropyridine-3-carboxylic acid

C24H23NO4 — CID 22949298

IUPAC2,6-dimethyl-4-phenyl-5-[(E)-3-phenylprop-2-enoxy]carbonyl-1,4-dihydropyridine-3-carboxylic acid
SMILESCC1=C(C(=O)O)C(c2ccccc2)C(C(=O)OC/C=C/c2ccccc2)=C(C)N1
InChIInChI=1S/C24H23NO4/c1-16-20(23(26)27)22(19-13-7-4-8-14-19)21(17(2)25-16)24(28)29-15-9-12-18-10-5-3-6-11-18/h3-14,22,25H,15H2,1-2H3,(H,26,27)/b12-9+
InChIKeyNWBCFEIUAZXUGN-FMIVXFBMSA-N
MW389.45 g/mol
LogP4.26
Rot. Bonds6

About 2,6-dimethyl-4-phenyl-5-[(E)-3-phenylprop-2-enoxy]carbonyl-1,4-dihydropyridine-3-carboxylic acid

2,6-dimethyl-4-phenyl-5-[(E)-3-phenylprop-2-enoxy]carbonyl-1,4-dihydropyridine-3-carboxylic acid (PubChem CID 22949298) has the molecular formula C24H23NO4 and a molecular weight of 389.45 g/mol. Its IUPAC name is 2,6-dimethyl-4-phenyl-5-[(E)-3-phenylprop-2-enoxy]carbonyl-1,4-dihydropyridine-3-carboxylic acid.

Molecular Properties

Compound Name2,6-dimethyl-4-phenyl-5-[(E)-3-phenylprop-2-enoxy]carbonyl-1,4-dihydropyridine-3-carboxylic acid
PubChem CID22949298
Molecular FormulaC24H23NO4
Molecular Weight389.45 g/mol
Exact Mass389.16
IUPAC Name2,6-dimethyl-4-phenyl-5-[(E)-3-phenylprop-2-enoxy]carbonyl-1,4-dihydropyridine-3-carboxylic acid
SMILESCC1=C(C(=O)O)C(c2ccccc2)C(C(=O)OC/C=C/c2ccccc2)=C(C)N1
InChIInChI=1S/C24H23NO4/c1-16-20(23(26)27)22(19-13-7-4-8-14-19)21(17(2)25-16)24(28)29-15-9-12-18-10-5-3-6-11-18/h3-14,22,25H,15H2,1-2H3,(H,26,27)/b12-9+
InChIKeyNWBCFEIUAZXUGN-FMIVXFBMSA-N
XLogP4.26
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-phenyl-5-[(E)-3-phenylprop-2-enoxy]carbonyl-1,4-dihydropyridine-3-carboxylic acid?
The IUPAC name of 2,6-dimethyl-4-phenyl-5-[(E)-3-phenylprop-2-enoxy]carbonyl-1,4-dihydropyridine-3-carboxylic acid (CID 22949298) is 2,6-dimethyl-4-phenyl-5-[(E)-3-phenylprop-2-enoxy]carbonyl-1,4-dihydropyridine-3-carboxylic acid.
What is the SMILES notation for 2,6-dimethyl-4-phenyl-5-[(E)-3-phenylprop-2-enoxy]carbonyl-1,4-dihydropyridine-3-carboxylic acid?
The canonical SMILES for 2,6-dimethyl-4-phenyl-5-[(E)-3-phenylprop-2-enoxy]carbonyl-1,4-dihydropyridine-3-carboxylic acid is CC1=C(C(=O)O)C(c2ccccc2)C(C(=O)OC/C=C/c2ccccc2)=C(C)N1.
What is the InChIKey of 2,6-dimethyl-4-phenyl-5-[(E)-3-phenylprop-2-enoxy]carbonyl-1,4-dihydropyridine-3-carboxylic acid?
The InChIKey is NWBCFEIUAZXUGN-FMIVXFBMSA-N. The full InChI is InChI=1S/C24H23NO4/c1-16-20(23(26)27)22(19-13-7-4-8-14-19)21(17(2)25-16)24(28)29-15-9-12-18-10-5-3-6-11-18/h3-14,22,25H,15H2,1-2H3,(H,26,27)/b12-9+.
What are the key properties of 2,6-dimethyl-4-phenyl-5-[(E)-3-phenylprop-2-enoxy]carbonyl-1,4-dihydropyridine-3-carboxylic acid?
2,6-dimethyl-4-phenyl-5-[(E)-3-phenylprop-2-enoxy]carbonyl-1,4-dihydropyridine-3-carboxylic acid has a molecular weight of 389.45 g/mol, XLogP of 4.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-phenyl-5-[(E)-3-phenylprop-2-enoxy]carbonyl-1,4-dihydropyridine-3-carboxylic acid is sourced from PubChem (CID 22949298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).