3,5-diethyl-4-phenyl-2-propyl-1,4-dihydropyridine

C18H25N — CID 67707378

IUPAC3,5-diethyl-4-phenyl-2-propyl-1,4-dihydropyridine
SMILESCCCC1=C(CC)C(c2ccccc2)C(CC)=CN1
InChIInChI=1S/C18H25N/c1-4-10-17-16(6-3)18(14(5-2)13-19-17)15-11-8-7-9-12-15/h7-9,11-13,18-19H,4-6,10H2,1-3H3
InChIKeyCGQZSSISYMCRPB-UHFFFAOYSA-N
MW255.41 g/mol
LogP5.13
Rot. Bonds5

About 3,5-diethyl-4-phenyl-2-propyl-1,4-dihydropyridine

3,5-diethyl-4-phenyl-2-propyl-1,4-dihydropyridine (PubChem CID 67707378) has the molecular formula C18H25N and a molecular weight of 255.41 g/mol. Its IUPAC name is 3,5-diethyl-4-phenyl-2-propyl-1,4-dihydropyridine.

Molecular Properties

Compound Name3,5-diethyl-4-phenyl-2-propyl-1,4-dihydropyridine
PubChem CID67707378
Molecular FormulaC18H25N
Molecular Weight255.41 g/mol
Exact Mass255.20
IUPAC Name3,5-diethyl-4-phenyl-2-propyl-1,4-dihydropyridine
SMILESCCCC1=C(CC)C(c2ccccc2)C(CC)=CN1
InChIInChI=1S/C18H25N/c1-4-10-17-16(6-3)18(14(5-2)13-19-17)15-11-8-7-9-12-15/h7-9,11-13,18-19H,4-6,10H2,1-3H3
InChIKeyCGQZSSISYMCRPB-UHFFFAOYSA-N
XLogP5.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500255.41
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-4-phenyl-2-propyl-1,4-dihydropyridine?
The IUPAC name of 3,5-diethyl-4-phenyl-2-propyl-1,4-dihydropyridine (CID 67707378) is 3,5-diethyl-4-phenyl-2-propyl-1,4-dihydropyridine.
What is the SMILES notation for 3,5-diethyl-4-phenyl-2-propyl-1,4-dihydropyridine?
The canonical SMILES for 3,5-diethyl-4-phenyl-2-propyl-1,4-dihydropyridine is CCCC1=C(CC)C(c2ccccc2)C(CC)=CN1.
What is the InChIKey of 3,5-diethyl-4-phenyl-2-propyl-1,4-dihydropyridine?
The InChIKey is CGQZSSISYMCRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N/c1-4-10-17-16(6-3)18(14(5-2)13-19-17)15-11-8-7-9-12-15/h7-9,11-13,18-19H,4-6,10H2,1-3H3.
What are the key properties of 3,5-diethyl-4-phenyl-2-propyl-1,4-dihydropyridine?
3,5-diethyl-4-phenyl-2-propyl-1,4-dihydropyridine has a molecular weight of 255.41 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-4-phenyl-2-propyl-1,4-dihydropyridine is sourced from PubChem (CID 67707378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).