2-(4-methoxyphenyl)ethyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate

C23H27NO3 — CID 10595006

IUPAC2-(4-methoxyphenyl)ethyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate
SMILESCCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(OC)cc2)C1
InChIInChI=1S/C23H27NO3/c1-3-24-15-13-21(19-7-5-4-6-8-19)22(17-24)23(25)27-16-14-18-9-11-20(26-2)12-10-18/h4-12H,3,13-17H2,1-2H3
InChIKeyZPASGLGRGIEHTG-UHFFFAOYSA-N
MW365.47 g/mol
LogP3.96
Rot. Bonds7

About 2-(4-methoxyphenyl)ethyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate

2-(4-methoxyphenyl)ethyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate (PubChem CID 10595006) has the molecular formula C23H27NO3 and a molecular weight of 365.47 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)ethyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate.

Molecular Properties

Compound Name2-(4-methoxyphenyl)ethyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate
PubChem CID10595006
Molecular FormulaC23H27NO3
Molecular Weight365.47 g/mol
Exact Mass365.20
IUPAC Name2-(4-methoxyphenyl)ethyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate
SMILESCCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(OC)cc2)C1
InChIInChI=1S/C23H27NO3/c1-3-24-15-13-21(19-7-5-4-6-8-19)22(17-24)23(25)27-16-14-18-9-11-20(26-2)12-10-18/h4-12H,3,13-17H2,1-2H3
InChIKeyZPASGLGRGIEHTG-UHFFFAOYSA-N
XLogP3.96
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)ethyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate?
The IUPAC name of 2-(4-methoxyphenyl)ethyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate (CID 10595006) is 2-(4-methoxyphenyl)ethyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate.
What is the SMILES notation for 2-(4-methoxyphenyl)ethyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate?
The canonical SMILES for 2-(4-methoxyphenyl)ethyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate is CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(OC)cc2)C1.
What is the InChIKey of 2-(4-methoxyphenyl)ethyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate?
The InChIKey is ZPASGLGRGIEHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO3/c1-3-24-15-13-21(19-7-5-4-6-8-19)22(17-24)23(25)27-16-14-18-9-11-20(26-2)12-10-18/h4-12H,3,13-17H2,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)ethyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate?
2-(4-methoxyphenyl)ethyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate has a molecular weight of 365.47 g/mol, XLogP of 3.96, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)ethyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate is sourced from PubChem (CID 10595006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).