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

C22H23NO4 — CID 9346949

IUPAC[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 2-(3-methoxyphenyl)acetate
SMILESCOc1cccc(CC(=O)OCC(=O)N2CC=C(c3ccccc3)CC2)c1
InChIInChI=1S/C22H23NO4/c1-26-20-9-5-6-17(14-20)15-22(25)27-16-21(24)23-12-10-19(11-13-23)18-7-3-2-4-8-18/h2-10,14H,11-13,15-16H2,1H3
InChIKeyALPYEKJMODUZCS-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.10
Rot. Bonds6

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

[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 2-(3-methoxyphenyl)acetate (PubChem CID 9346949) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is [2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 2-(3-methoxyphenyl)acetate.

Molecular Properties

Compound Name[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 2-(3-methoxyphenyl)acetate
PubChem CID9346949
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC Name[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 2-(3-methoxyphenyl)acetate
SMILESCOc1cccc(CC(=O)OCC(=O)N2CC=C(c3ccccc3)CC2)c1
InChIInChI=1S/C22H23NO4/c1-26-20-9-5-6-17(14-20)15-22(25)27-16-21(24)23-12-10-19(11-13-23)18-7-3-2-4-8-18/h2-10,14H,11-13,15-16H2,1H3
InChIKeyALPYEKJMODUZCS-UHFFFAOYSA-N
XLogP3.10
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methoxyphenyl)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 38167963
[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] acetate
CID 140988563
[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 9346964
[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] 2,6-difluorobenzoate
CID 9203305
tert-butyl 4-[3-(2-methoxy-2-oxoethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 86719116
[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 9200354
[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] 2-(2-chloro-4-fluorophenoxy)acetate
CID 8565655
1-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 142929013
[3-(methoxymethyl)phenyl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 38168300

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 2-(3-methoxyphenyl)acetate?
The IUPAC name of [2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 2-(3-methoxyphenyl)acetate (CID 9346949) is [2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 2-(3-methoxyphenyl)acetate.
What is the SMILES notation for [2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 2-(3-methoxyphenyl)acetate?
The canonical SMILES for [2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 2-(3-methoxyphenyl)acetate is COc1cccc(CC(=O)OCC(=O)N2CC=C(c3ccccc3)CC2)c1.
What is the InChIKey of [2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 2-(3-methoxyphenyl)acetate?
The InChIKey is ALPYEKJMODUZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO4/c1-26-20-9-5-6-17(14-20)15-22(25)27-16-21(24)23-12-10-19(11-13-23)18-7-3-2-4-8-18/h2-10,14H,11-13,15-16H2,1H3.
What are the key properties of [2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 2-(3-methoxyphenyl)acetate?
[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 2-(3-methoxyphenyl)acetate has a molecular weight of 365.43 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 4 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-methoxyphenyl)acetate is sourced from PubChem (CID 9346949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).