[2-oxo-1-phenyl-2-(pyridin-2-ylmethoxy)ethyl] 3,4,5-trimethoxybenzoate

C24H23NO7 — CID 3038982

IUPAC[2-oxo-1-phenyl-2-(pyridin-2-ylmethoxy)ethyl] 3,4,5-trimethoxybenzoate
SMILESCOc1cc(C(=O)OC(C(=O)OCc2ccccn2)c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C24H23NO7/c1-28-19-13-17(14-20(29-2)22(19)30-3)23(26)32-21(16-9-5-4-6-10-16)24(27)31-15-18-11-7-8-12-25-18/h4-14,21H,15H2,1-3H3
InChIKeyVSJBAXXKTIASOR-UHFFFAOYSA-N
MW437.45 g/mol
LogP3.75
Rot. Bonds9

About [2-oxo-1-phenyl-2-(pyridin-2-ylmethoxy)ethyl] 3,4,5-trimethoxybenzoate

[2-oxo-1-phenyl-2-(pyridin-2-ylmethoxy)ethyl] 3,4,5-trimethoxybenzoate (PubChem CID 3038982) has the molecular formula C24H23NO7 and a molecular weight of 437.45 g/mol. Its IUPAC name is [2-oxo-1-phenyl-2-(pyridin-2-ylmethoxy)ethyl] 3,4,5-trimethoxybenzoate.

Molecular Properties

Compound Name[2-oxo-1-phenyl-2-(pyridin-2-ylmethoxy)ethyl] 3,4,5-trimethoxybenzoate
PubChem CID3038982
Molecular FormulaC24H23NO7
Molecular Weight437.45 g/mol
Exact Mass437.15
IUPAC Name[2-oxo-1-phenyl-2-(pyridin-2-ylmethoxy)ethyl] 3,4,5-trimethoxybenzoate
SMILESCOc1cc(C(=O)OC(C(=O)OCc2ccccn2)c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C24H23NO7/c1-28-19-13-17(14-20(29-2)22(19)30-3)23(26)32-21(16-9-5-4-6-10-16)24(27)31-15-18-11-7-8-12-25-18/h4-14,21H,15H2,1-3H3
InChIKeyVSJBAXXKTIASOR-UHFFFAOYSA-N
XLogP3.75
TPSA93.18 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.45
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-amino-4-pyridin-2-yl-1-(3,4,5-trimethoxyphenyl)butan-1-one
CID 67619578
2-[(3,4,5-trimethoxyphenoxy)methyl]pyridine
CID 121304269
pyridin-2-ylmethyl 2,4,5-trimethoxybenzoate
CID 43008926
(2-amino-2-oxo-1-phenylethyl) 3-chloro-5-methoxy-4-(2-methylpropoxy)benzoate
CID 18135379
pyridin-2-ylmethyl 2-aminopropanoate
CID 83529934
bis(pyridin-2-ylmethyl) (2R,3R)-2,3-dipropylbutanedioate
CID 102384709
bis(pyridin-2-ylmethyl) (2S,3S)-2,3-dipropylbutanedioate
CID 102384710
diethyl-methyl-[2-phenyl-2-(3,4,5-trimethoxybenzoyl)oxyethyl]azanium iodide
CID 24833138
pyridin-2-ylmethyl 2-trimethylsilylpropanoate
CID 11962005
pyridin-2-ylmethyl 7-methoxy-1-methylbenzimidazole-5-carboxylate
CID 175838596
(2-oxo-1,2-diphenylethyl) 3,4-dimethoxybenzoate
CID 19132863
pyridin-2-ylmethyl 4-chloro-2-methoxybenzoate
CID 60598324

Frequently Asked Questions

What is the IUPAC name of [2-oxo-1-phenyl-2-(pyridin-2-ylmethoxy)ethyl] 3,4,5-trimethoxybenzoate?
The IUPAC name of [2-oxo-1-phenyl-2-(pyridin-2-ylmethoxy)ethyl] 3,4,5-trimethoxybenzoate (CID 3038982) is [2-oxo-1-phenyl-2-(pyridin-2-ylmethoxy)ethyl] 3,4,5-trimethoxybenzoate.
What is the SMILES notation for [2-oxo-1-phenyl-2-(pyridin-2-ylmethoxy)ethyl] 3,4,5-trimethoxybenzoate?
The canonical SMILES for [2-oxo-1-phenyl-2-(pyridin-2-ylmethoxy)ethyl] 3,4,5-trimethoxybenzoate is COc1cc(C(=O)OC(C(=O)OCc2ccccn2)c2ccccc2)cc(OC)c1OC.
What is the InChIKey of [2-oxo-1-phenyl-2-(pyridin-2-ylmethoxy)ethyl] 3,4,5-trimethoxybenzoate?
The InChIKey is VSJBAXXKTIASOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO7/c1-28-19-13-17(14-20(29-2)22(19)30-3)23(26)32-21(16-9-5-4-6-10-16)24(27)31-15-18-11-7-8-12-25-18/h4-14,21H,15H2,1-3H3.
What are the key properties of [2-oxo-1-phenyl-2-(pyridin-2-ylmethoxy)ethyl] 3,4,5-trimethoxybenzoate?
[2-oxo-1-phenyl-2-(pyridin-2-ylmethoxy)ethyl] 3,4,5-trimethoxybenzoate has a molecular weight of 437.45 g/mol, XLogP of 3.75, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-1-phenyl-2-(pyridin-2-ylmethoxy)ethyl] 3,4,5-trimethoxybenzoate is sourced from PubChem (CID 3038982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).