(2S)-2-(4-ethylphenyl)-1-(4-methoxyphenyl)-4-methyl-2,3-dihydropyridin-6-one

C21H23NO2 — CID 164666356

IUPAC(2S)-2-(4-ethylphenyl)-1-(4-methoxyphenyl)-4-methyl-2,3-dihydropyridin-6-one
SMILESCCc1ccc([C@@H]2CC(C)=CC(=O)N2c2ccc(OC)cc2)cc1
InChIInChI=1S/C21H23NO2/c1-4-16-5-7-17(8-6-16)20-13-15(2)14-21(23)22(20)18-9-11-19(24-3)12-10-18/h5-12,14,20H,4,13H2,1-3H3/t20-/m0/s1
InChIKeyCRLSDVTZJBVLET-FQEVSTJZSA-N
MW321.42 g/mol
LogP4.68
Rot. Bonds4

About (2S)-2-(4-ethylphenyl)-1-(4-methoxyphenyl)-4-methyl-2,3-dihydropyridin-6-one

(2S)-2-(4-ethylphenyl)-1-(4-methoxyphenyl)-4-methyl-2,3-dihydropyridin-6-one (PubChem CID 164666356) has the molecular formula C21H23NO2 and a molecular weight of 321.42 g/mol. Its IUPAC name is (2S)-2-(4-ethylphenyl)-1-(4-methoxyphenyl)-4-methyl-2,3-dihydropyridin-6-one.

Molecular Properties

Compound Name(2S)-2-(4-ethylphenyl)-1-(4-methoxyphenyl)-4-methyl-2,3-dihydropyridin-6-one
PubChem CID164666356
Molecular FormulaC21H23NO2
Molecular Weight321.42 g/mol
Exact Mass321.17
IUPAC Name(2S)-2-(4-ethylphenyl)-1-(4-methoxyphenyl)-4-methyl-2,3-dihydropyridin-6-one
SMILESCCc1ccc([C@@H]2CC(C)=CC(=O)N2c2ccc(OC)cc2)cc1
InChIInChI=1S/C21H23NO2/c1-4-16-5-7-17(8-6-16)20-13-15(2)14-21(23)22(20)18-9-11-19(24-3)12-10-18/h5-12,14,20H,4,13H2,1-3H3/t20-/m0/s1
InChIKeyCRLSDVTZJBVLET-FQEVSTJZSA-N
XLogP4.68
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-ethylphenyl)-1-(4-methoxyphenyl)-4-methyl-2,3-dihydropyridin-6-one?
The IUPAC name of (2S)-2-(4-ethylphenyl)-1-(4-methoxyphenyl)-4-methyl-2,3-dihydropyridin-6-one (CID 164666356) is (2S)-2-(4-ethylphenyl)-1-(4-methoxyphenyl)-4-methyl-2,3-dihydropyridin-6-one.
What is the SMILES notation for (2S)-2-(4-ethylphenyl)-1-(4-methoxyphenyl)-4-methyl-2,3-dihydropyridin-6-one?
The canonical SMILES for (2S)-2-(4-ethylphenyl)-1-(4-methoxyphenyl)-4-methyl-2,3-dihydropyridin-6-one is CCc1ccc([C@@H]2CC(C)=CC(=O)N2c2ccc(OC)cc2)cc1.
What is the InChIKey of (2S)-2-(4-ethylphenyl)-1-(4-methoxyphenyl)-4-methyl-2,3-dihydropyridin-6-one?
The InChIKey is CRLSDVTZJBVLET-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H23NO2/c1-4-16-5-7-17(8-6-16)20-13-15(2)14-21(23)22(20)18-9-11-19(24-3)12-10-18/h5-12,14,20H,4,13H2,1-3H3/t20-/m0/s1.
What are the key properties of (2S)-2-(4-ethylphenyl)-1-(4-methoxyphenyl)-4-methyl-2,3-dihydropyridin-6-one?
(2S)-2-(4-ethylphenyl)-1-(4-methoxyphenyl)-4-methyl-2,3-dihydropyridin-6-one has a molecular weight of 321.42 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-ethylphenyl)-1-(4-methoxyphenyl)-4-methyl-2,3-dihydropyridin-6-one is sourced from PubChem (CID 164666356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).