ethyl 2-ethyl-4,6-diphenyl-1,4-dihydropyridine-3-carboxylate

C22H23NO2 — CID 90656508

IUPACethyl 2-ethyl-4,6-diphenyl-1,4-dihydropyridine-3-carboxylate
SMILESCCOC(=O)C1=C(CC)NC(c2ccccc2)=CC1c1ccccc1
InChIInChI=1S/C22H23NO2/c1-3-19-21(22(24)25-4-2)18(16-11-7-5-8-12-16)15-20(23-19)17-13-9-6-10-14-17/h5-15,18,23H,3-4H2,1-2H3
InChIKeyDSRLLQOHJOEKEZ-UHFFFAOYSA-N
MW333.43 g/mol
LogP4.64
Rot. Bonds5

About ethyl 2-ethyl-4,6-diphenyl-1,4-dihydropyridine-3-carboxylate

ethyl 2-ethyl-4,6-diphenyl-1,4-dihydropyridine-3-carboxylate (PubChem CID 90656508) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is ethyl 2-ethyl-4,6-diphenyl-1,4-dihydropyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-ethyl-4,6-diphenyl-1,4-dihydropyridine-3-carboxylate
PubChem CID90656508
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC Nameethyl 2-ethyl-4,6-diphenyl-1,4-dihydropyridine-3-carboxylate
SMILESCCOC(=O)C1=C(CC)NC(c2ccccc2)=CC1c1ccccc1
InChIInChI=1S/C22H23NO2/c1-3-19-21(22(24)25-4-2)18(16-11-7-5-8-12-16)15-20(23-19)17-13-9-6-10-14-17/h5-15,18,23H,3-4H2,1-2H3
InChIKeyDSRLLQOHJOEKEZ-UHFFFAOYSA-N
XLogP4.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethyl-4,6-diphenyl-1,4-dihydropyridine-3-carboxylate?
The IUPAC name of ethyl 2-ethyl-4,6-diphenyl-1,4-dihydropyridine-3-carboxylate (CID 90656508) is ethyl 2-ethyl-4,6-diphenyl-1,4-dihydropyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-ethyl-4,6-diphenyl-1,4-dihydropyridine-3-carboxylate?
The canonical SMILES for ethyl 2-ethyl-4,6-diphenyl-1,4-dihydropyridine-3-carboxylate is CCOC(=O)C1=C(CC)NC(c2ccccc2)=CC1c1ccccc1.
What is the InChIKey of ethyl 2-ethyl-4,6-diphenyl-1,4-dihydropyridine-3-carboxylate?
The InChIKey is DSRLLQOHJOEKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2/c1-3-19-21(22(24)25-4-2)18(16-11-7-5-8-12-16)15-20(23-19)17-13-9-6-10-14-17/h5-15,18,23H,3-4H2,1-2H3.
What are the key properties of ethyl 2-ethyl-4,6-diphenyl-1,4-dihydropyridine-3-carboxylate?
ethyl 2-ethyl-4,6-diphenyl-1,4-dihydropyridine-3-carboxylate has a molecular weight of 333.43 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethyl-4,6-diphenyl-1,4-dihydropyridine-3-carboxylate is sourced from PubChem (CID 90656508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).