[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-(2-oxo-1-pyridinyl)acetate

C18H19NO4 — CID 8986833

IUPAC[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-(2-oxo-1-pyridinyl)acetate
SMILESCc1cc(C)c(C(=O)COC(=O)Cn2ccccc2=O)cc1C
InChIInChI=1S/C18H19NO4/c1-12-8-14(3)15(9-13(12)2)16(20)11-23-18(22)10-19-7-5-4-6-17(19)21/h4-9H,10-11H2,1-3H3
InChIKeyCCAWIAONOJVPCQ-UHFFFAOYSA-N
MW313.35 g/mol
LogP2.20
Rot. Bonds5

About [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-(2-oxo-1-pyridinyl)acetate

[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-(2-oxo-1-pyridinyl)acetate (PubChem CID 8986833) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-(2-oxo-1-pyridinyl)acetate.

Molecular Properties

Compound Name[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-(2-oxo-1-pyridinyl)acetate
PubChem CID8986833
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-(2-oxo-1-pyridinyl)acetate
SMILESCc1cc(C)c(C(=O)COC(=O)Cn2ccccc2=O)cc1C
InChIInChI=1S/C18H19NO4/c1-12-8-14(3)15(9-13(12)2)16(20)11-23-18(22)10-19-7-5-4-6-17(19)21/h4-9H,10-11H2,1-3H3
InChIKeyCCAWIAONOJVPCQ-UHFFFAOYSA-N
XLogP2.20
TPSA65.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 4538442
[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 2-(2-oxo-1-pyridinyl)acetate
CID 8986834
1-[2-(2-methylphenyl)-2-oxoethyl]pyridin-2-one
CID 62018988
[2-(1-adamantyl)-2-oxoethyl] 2-(2-oxo-1-pyridinyl)acetate
CID 8986783
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-naphthalen-2-ylsulfanylacetate
CID 4569482
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2-oxo-1-pyridinyl)acetate
CID 8986851
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate
CID 7617394
1-[2-(4-methylphenyl)-2-oxoethyl]pyridin-2-one
CID 3802743
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-benzamido-3-phenylpropanoate
CID 18226931
phenyl 2-(2-oxo-1-pyridinyl)acetate
CID 3716691
ethyl 2-[[2-[2-(2-oxo-1-pyridinyl)acetyl]oxyacetyl]amino]-5-propan-2-ylthiophene-3-carboxylate
CID 8986965
[2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(2-oxo-1-pyridinyl)acetate
CID 8987404

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-(2-oxo-1-pyridinyl)acetate?
The IUPAC name of [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-(2-oxo-1-pyridinyl)acetate (CID 8986833) is [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-(2-oxo-1-pyridinyl)acetate.
What is the SMILES notation for [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-(2-oxo-1-pyridinyl)acetate?
The canonical SMILES for [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-(2-oxo-1-pyridinyl)acetate is Cc1cc(C)c(C(=O)COC(=O)Cn2ccccc2=O)cc1C.
What is the InChIKey of [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-(2-oxo-1-pyridinyl)acetate?
The InChIKey is CCAWIAONOJVPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-12-8-14(3)15(9-13(12)2)16(20)11-23-18(22)10-19-7-5-4-6-17(19)21/h4-9H,10-11H2,1-3H3.
What are the key properties of [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-(2-oxo-1-pyridinyl)acetate?
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-(2-oxo-1-pyridinyl)acetate has a molecular weight of 313.35 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-(2-oxo-1-pyridinyl)acetate is sourced from PubChem (CID 8986833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).