[2-(2-ethoxyanilino)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate

C16H17N3O6 — CID 7632745

IUPAC[2-(2-ethoxyanilino)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate
SMILESCCOc1ccccc1NC(=O)COC(=O)Cn1ccc(=O)[nH]c1=O
InChIInChI=1S/C16H17N3O6/c1-2-24-12-6-4-3-5-11(12)17-14(21)10-25-15(22)9-19-8-7-13(20)18-16(19)23/h3-8H,2,9-10H2,1H3,(H,17,21)(H,18,20,23)
InChIKeyUNXBIZILFBFSOP-UHFFFAOYSA-N
MW347.33 g/mol
LogP0.12
Rot. Bonds7

About [2-(2-ethoxyanilino)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate

[2-(2-ethoxyanilino)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate (PubChem CID 7632745) has the molecular formula C16H17N3O6 and a molecular weight of 347.33 g/mol. Its IUPAC name is [2-(2-ethoxyanilino)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate.

Molecular Properties

Compound Name[2-(2-ethoxyanilino)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate
PubChem CID7632745
Molecular FormulaC16H17N3O6
Molecular Weight347.33 g/mol
Exact Mass347.11
IUPAC Name[2-(2-ethoxyanilino)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate
SMILESCCOc1ccccc1NC(=O)COC(=O)Cn1ccc(=O)[nH]c1=O
InChIInChI=1S/C16H17N3O6/c1-2-24-12-6-4-3-5-11(12)17-14(21)10-25-15(22)9-19-8-7-13(20)18-16(19)23/h3-8H,2,9-10H2,1H3,(H,17,21)(H,18,20,23)
InChIKeyUNXBIZILFBFSOP-UHFFFAOYSA-N
XLogP0.12
TPSA119.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.33
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(2-chloroanilino)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate
CID 9063517
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate
CID 7632710
[2-(2-methoxyanilino)-2-oxoethyl] 3-(2,4-dioxopyrimidin-1-yl)propanoate
CID 90480546
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate
CID 9063575
[2-(2-ethoxyanilino)-2-oxoethyl] 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate
CID 18268883
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate
CID 7632697
[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate
CID 7633263
[2-(4-bromo-2-methylanilino)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate
CID 7633167
[2-(2-ethoxyanilino)-2-oxoethyl] 2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 7793913
[2-(2-ethoxyanilino)-2-oxoethyl] 2-(2-oxo-3-propylbenzimidazol-1-yl)acetate
CID 27601619
1-[2-(2-ethoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione
CID 62025394
[2-(2-ethoxyanilino)-2-oxoethyl] 2-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]acetate
CID 98641122

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethoxyanilino)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate?
The IUPAC name of [2-(2-ethoxyanilino)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate (CID 7632745) is [2-(2-ethoxyanilino)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate.
What is the SMILES notation for [2-(2-ethoxyanilino)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate?
The canonical SMILES for [2-(2-ethoxyanilino)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate is CCOc1ccccc1NC(=O)COC(=O)Cn1ccc(=O)[nH]c1=O.
What is the InChIKey of [2-(2-ethoxyanilino)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate?
The InChIKey is UNXBIZILFBFSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O6/c1-2-24-12-6-4-3-5-11(12)17-14(21)10-25-15(22)9-19-8-7-13(20)18-16(19)23/h3-8H,2,9-10H2,1H3,(H,17,21)(H,18,20,23).
What are the key properties of [2-(2-ethoxyanilino)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate?
[2-(2-ethoxyanilino)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate has a molecular weight of 347.33 g/mol, XLogP of 0.12, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethoxyanilino)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate is sourced from PubChem (CID 7632745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).