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(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl 2-(4-acetyl-2-methoxyphenoxy)acetate

C18H20N2O7 — CID 55479722

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl 2-(4-acetyl-2-methoxyphenoxy)acetate
SMILESCOc1cc(C(C)=O)ccc1OCC(=O)OCc1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C18H20N2O7/c1-11(21)12-5-6-14(15(7-12)25-4)26-10-17(23)27-9-13-8-16(22)20(3)18(24)19(13)2/h5-8H,9-10H2,1-4H3
InChIKeyCMNJVTCVCFDAHK-UHFFFAOYSA-N
MW376.37 g/mol
LogP0.42
Rot. Bonds7

About (1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl 2-(4-acetyl-2-methoxyphenoxy)acetate

(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl 2-(4-acetyl-2-methoxyphenoxy)acetate (PubChem CID 55479722) has the molecular formula C18H20N2O7 and a molecular weight of 376.37 g/mol. Its IUPAC name is (1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl 2-(4-acetyl-2-methoxyphenoxy)acetate.

Molecular Properties

Compound Name(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl 2-(4-acetyl-2-methoxyphenoxy)acetate
PubChem CID55479722
Molecular FormulaC18H20N2O7
Molecular Weight376.37 g/mol
Exact Mass376.13
IUPAC Name(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl 2-(4-acetyl-2-methoxyphenoxy)acetate
SMILESCOc1cc(C(C)=O)ccc1OCC(=O)OCc1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C18H20N2O7/c1-11(21)12-5-6-14(15(7-12)25-4)26-10-17(23)27-9-13-8-16(22)20(3)18(24)19(13)2/h5-8H,9-10H2,1-4H3
InChIKeyCMNJVTCVCFDAHK-UHFFFAOYSA-N
XLogP0.42
TPSA105.83 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of (1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl 2-(4-acetyl-2-methoxyphenoxy)acetate?
The IUPAC name of (1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl 2-(4-acetyl-2-methoxyphenoxy)acetate (CID 55479722) is (1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl 2-(4-acetyl-2-methoxyphenoxy)acetate.
What is the SMILES notation for (1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl 2-(4-acetyl-2-methoxyphenoxy)acetate?
The canonical SMILES for (1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl 2-(4-acetyl-2-methoxyphenoxy)acetate is COc1cc(C(C)=O)ccc1OCC(=O)OCc1cc(=O)n(C)c(=O)n1C.
What is the InChIKey of (1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl 2-(4-acetyl-2-methoxyphenoxy)acetate?
The InChIKey is CMNJVTCVCFDAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O7/c1-11(21)12-5-6-14(15(7-12)25-4)26-10-17(23)27-9-13-8-16(22)20(3)18(24)19(13)2/h5-8H,9-10H2,1-4H3.
What are the key properties of (1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl 2-(4-acetyl-2-methoxyphenoxy)acetate?
(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl 2-(4-acetyl-2-methoxyphenoxy)acetate has a molecular weight of 376.37 g/mol, XLogP of 0.42, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl 2-(4-acetyl-2-methoxyphenoxy)acetate is sourced from PubChem (CID 55479722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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