ethyl 2-methyl-4-(4-methylphenyl)-6-phenyl-1,4-dihydropyridine-3-carboxylate

C22H23NO2 — CID 90656520

IUPACethyl 2-methyl-4-(4-methylphenyl)-6-phenyl-1,4-dihydropyridine-3-carboxylate
SMILESCCOC(=O)C1=C(C)NC(c2ccccc2)=CC1c1ccc(C)cc1
InChIInChI=1S/C22H23NO2/c1-4-25-22(24)21-16(3)23-20(18-8-6-5-7-9-18)14-19(21)17-12-10-15(2)11-13-17/h5-14,19,23H,4H2,1-3H3
InChIKeyWVBSXFXYFWMWMR-UHFFFAOYSA-N
MW333.43 g/mol
LogP4.56
Rot. Bonds4

About ethyl 2-methyl-4-(4-methylphenyl)-6-phenyl-1,4-dihydropyridine-3-carboxylate

ethyl 2-methyl-4-(4-methylphenyl)-6-phenyl-1,4-dihydropyridine-3-carboxylate (PubChem CID 90656520) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is ethyl 2-methyl-4-(4-methylphenyl)-6-phenyl-1,4-dihydropyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-4-(4-methylphenyl)-6-phenyl-1,4-dihydropyridine-3-carboxylate
PubChem CID90656520
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC Nameethyl 2-methyl-4-(4-methylphenyl)-6-phenyl-1,4-dihydropyridine-3-carboxylate
SMILESCCOC(=O)C1=C(C)NC(c2ccccc2)=CC1c1ccc(C)cc1
InChIInChI=1S/C22H23NO2/c1-4-25-22(24)21-16(3)23-20(18-8-6-5-7-9-18)14-19(21)17-12-10-15(2)11-13-17/h5-14,19,23H,4H2,1-3H3
InChIKeyWVBSXFXYFWMWMR-UHFFFAOYSA-N
XLogP4.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-4-(4-methylphenyl)-6-phenyl-1,4-dihydropyridine-3-carboxylate?
The IUPAC name of ethyl 2-methyl-4-(4-methylphenyl)-6-phenyl-1,4-dihydropyridine-3-carboxylate (CID 90656520) is ethyl 2-methyl-4-(4-methylphenyl)-6-phenyl-1,4-dihydropyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-methyl-4-(4-methylphenyl)-6-phenyl-1,4-dihydropyridine-3-carboxylate?
The canonical SMILES for ethyl 2-methyl-4-(4-methylphenyl)-6-phenyl-1,4-dihydropyridine-3-carboxylate is CCOC(=O)C1=C(C)NC(c2ccccc2)=CC1c1ccc(C)cc1.
What is the InChIKey of ethyl 2-methyl-4-(4-methylphenyl)-6-phenyl-1,4-dihydropyridine-3-carboxylate?
The InChIKey is WVBSXFXYFWMWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2/c1-4-25-22(24)21-16(3)23-20(18-8-6-5-7-9-18)14-19(21)17-12-10-15(2)11-13-17/h5-14,19,23H,4H2,1-3H3.
What are the key properties of ethyl 2-methyl-4-(4-methylphenyl)-6-phenyl-1,4-dihydropyridine-3-carboxylate?
ethyl 2-methyl-4-(4-methylphenyl)-6-phenyl-1,4-dihydropyridine-3-carboxylate has a molecular weight of 333.43 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-4-(4-methylphenyl)-6-phenyl-1,4-dihydropyridine-3-carboxylate is sourced from PubChem (CID 90656520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).