[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 2,3-dimethylbenzoate

C22H23NO3 — CID 9079467

IUPAC[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 2,3-dimethylbenzoate
SMILESCc1cccc(C(=O)OCC(=O)N2CC=C(c3ccccc3)CC2)c1C
InChIInChI=1S/C22H23NO3/c1-16-7-6-10-20(17(16)2)22(25)26-15-21(24)23-13-11-19(12-14-23)18-8-4-3-5-9-18/h3-11H,12-15H2,1-2H3
InChIKeyNXWQAXKFRZRWDN-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.78
Rot. Bonds4

About [2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 2,3-dimethylbenzoate

[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 2,3-dimethylbenzoate (PubChem CID 9079467) has the molecular formula C22H23NO3 and a molecular weight of 349.43 g/mol. Its IUPAC name is [2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 2,3-dimethylbenzoate.

Molecular Properties

Compound Name[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 2,3-dimethylbenzoate
PubChem CID9079467
Molecular FormulaC22H23NO3
Molecular Weight349.43 g/mol
Exact Mass349.17
IUPAC Name[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 2,3-dimethylbenzoate
SMILESCc1cccc(C(=O)OCC(=O)N2CC=C(c3ccccc3)CC2)c1C
InChIInChI=1S/C22H23NO3/c1-16-7-6-10-20(17(16)2)22(25)26-15-21(24)23-13-11-19(12-14-23)18-8-4-3-5-9-18/h3-11H,12-15H2,1-2H3
InChIKeyNXWQAXKFRZRWDN-UHFFFAOYSA-N
XLogP3.78
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 2,3-dichlorobenzoate
CID 9202959
[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] acetate
CID 140988563
[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 2,6-difluorobenzoate
CID 9203305
[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 2,5-dichlorobenzoate
CID 9203021
[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 3,4,5-trimethoxybenzoate
CID 9201424
[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 2-phenoxyacetate
CID 9018269
[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 2-(3-methoxyphenyl)acetate
CID 9346949
3-amino-3-methyl-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one
CID 64685858
[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2,3-dimethylbenzoate
CID 2645934
[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 3-(1,3-dioxoisoindol-2-yl)propanoate
CID 8578167
2-(3-methyl-4-nitrophenoxy)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 8647892
2-chloro-1-[4-(2,3-dimethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 165486572

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 2,3-dimethylbenzoate?
The IUPAC name of [2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 2,3-dimethylbenzoate (CID 9079467) is [2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 2,3-dimethylbenzoate.
What is the SMILES notation for [2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 2,3-dimethylbenzoate?
The canonical SMILES for [2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 2,3-dimethylbenzoate is Cc1cccc(C(=O)OCC(=O)N2CC=C(c3ccccc3)CC2)c1C.
What is the InChIKey of [2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 2,3-dimethylbenzoate?
The InChIKey is NXWQAXKFRZRWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO3/c1-16-7-6-10-20(17(16)2)22(25)26-15-21(24)23-13-11-19(12-14-23)18-8-4-3-5-9-18/h3-11H,12-15H2,1-2H3.
What are the key properties of [2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 2,3-dimethylbenzoate?
[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 2,3-dimethylbenzoate has a molecular weight of 349.43 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 2,3-dimethylbenzoate is sourced from PubChem (CID 9079467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).