[2-(2-methoxyanilino)-2-oxoethyl] 3-(2,4-dioxopyrimidin-1-yl)propanoate

C16H17N3O6 — CID 90480546

IUPAC[2-(2-methoxyanilino)-2-oxoethyl] 3-(2,4-dioxopyrimidin-1-yl)propanoate
SMILESCOc1ccccc1NC(=O)COC(=O)CCn1ccc(=O)[nH]c1=O
InChIInChI=1S/C16H17N3O6/c1-24-12-5-3-2-4-11(12)17-14(21)10-25-15(22)7-9-19-8-6-13(20)18-16(19)23/h2-6,8H,7,9-10H2,1H3,(H,17,21)(H,18,20,23)
InChIKeySPBCHQNAEJLABF-UHFFFAOYSA-N
MW347.33 g/mol
LogP0.12
Rot. Bonds7

About [2-(2-methoxyanilino)-2-oxoethyl] 3-(2,4-dioxopyrimidin-1-yl)propanoate

[2-(2-methoxyanilino)-2-oxoethyl] 3-(2,4-dioxopyrimidin-1-yl)propanoate (PubChem CID 90480546) has the molecular formula C16H17N3O6 and a molecular weight of 347.33 g/mol. Its IUPAC name is [2-(2-methoxyanilino)-2-oxoethyl] 3-(2,4-dioxopyrimidin-1-yl)propanoate.

Molecular Properties

Compound Name[2-(2-methoxyanilino)-2-oxoethyl] 3-(2,4-dioxopyrimidin-1-yl)propanoate
PubChem CID90480546
Molecular FormulaC16H17N3O6
Molecular Weight347.33 g/mol
Exact Mass347.11
IUPAC Name[2-(2-methoxyanilino)-2-oxoethyl] 3-(2,4-dioxopyrimidin-1-yl)propanoate
SMILESCOc1ccccc1NC(=O)COC(=O)CCn1ccc(=O)[nH]c1=O
InChIInChI=1S/C16H17N3O6/c1-24-12-5-3-2-4-11(12)17-14(21)10-25-15(22)7-9-19-8-6-13(20)18-16(19)23/h2-6,8H,7,9-10H2,1H3,(H,17,21)(H,18,20,23)
InChIKeySPBCHQNAEJLABF-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-ethoxyanilino)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate
CID 7632745
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate
CID 9063575
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 3-(2,4-dioxopyrimidin-1-yl)propanoate
CID 90480570
[2-(2-chloroanilino)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate
CID 9063517
ethyl 2-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]benzoate
CID 108788630
[2-(2-methoxyanilino)-2-oxoethyl] 3-(3-oxo-1,4-benzoxazin-4-yl)propanoate
CID 7737344
[2-(2-methoxyanilino)-2-oxoethyl] 3-(3-oxo-1,4-benzothiazin-4-yl)propanoate
CID 8921625
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate
CID 7632710
[2-(2-methoxyanilino)-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 8734254
[2-(2-methoxyanilino)-2-oxoethyl] 3,3-diphenylpropanoate
CID 2356149
2-[[2-(2-methoxyanilino)-2-oxoethyl]disulfanyl]-N-(2-methoxyphenyl)acetamide
CID 2346844
[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate
CID 7633214

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyanilino)-2-oxoethyl] 3-(2,4-dioxopyrimidin-1-yl)propanoate?
The IUPAC name of [2-(2-methoxyanilino)-2-oxoethyl] 3-(2,4-dioxopyrimidin-1-yl)propanoate (CID 90480546) is [2-(2-methoxyanilino)-2-oxoethyl] 3-(2,4-dioxopyrimidin-1-yl)propanoate.
What is the SMILES notation for [2-(2-methoxyanilino)-2-oxoethyl] 3-(2,4-dioxopyrimidin-1-yl)propanoate?
The canonical SMILES for [2-(2-methoxyanilino)-2-oxoethyl] 3-(2,4-dioxopyrimidin-1-yl)propanoate is COc1ccccc1NC(=O)COC(=O)CCn1ccc(=O)[nH]c1=O.
What is the InChIKey of [2-(2-methoxyanilino)-2-oxoethyl] 3-(2,4-dioxopyrimidin-1-yl)propanoate?
The InChIKey is SPBCHQNAEJLABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O6/c1-24-12-5-3-2-4-11(12)17-14(21)10-25-15(22)7-9-19-8-6-13(20)18-16(19)23/h2-6,8H,7,9-10H2,1H3,(H,17,21)(H,18,20,23).
What are the key properties of [2-(2-methoxyanilino)-2-oxoethyl] 3-(2,4-dioxopyrimidin-1-yl)propanoate?
[2-(2-methoxyanilino)-2-oxoethyl] 3-(2,4-dioxopyrimidin-1-yl)propanoate 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-methoxyanilino)-2-oxoethyl] 3-(2,4-dioxopyrimidin-1-yl)propanoate is sourced from PubChem (CID 90480546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).