ethyl 2-[[2-[3-(4-methylphenyl)-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetyl]amino]acetate

C23H21N3O6 — CID 18563313

IUPACethyl 2-[[2-[3-(4-methylphenyl)-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)Cn1c(=O)n(-c2ccc(C)cc2)c(=O)c2oc3ccccc3c21
InChIInChI=1S/C23H21N3O6/c1-3-31-19(28)12-24-18(27)13-25-20-16-6-4-5-7-17(16)32-21(20)22(29)26(23(25)30)15-10-8-14(2)9-11-15/h4-11H,3,12-13H2,1-2H3,(H,24,27)
InChIKeyYAHYQJRTECQABT-UHFFFAOYSA-N
MW435.44 g/mol
LogP1.89
Rot. Bonds6

About ethyl 2-[[2-[3-(4-methylphenyl)-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetyl]amino]acetate

ethyl 2-[[2-[3-(4-methylphenyl)-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetyl]amino]acetate (PubChem CID 18563313) has the molecular formula C23H21N3O6 and a molecular weight of 435.44 g/mol. Its IUPAC name is ethyl 2-[[2-[3-(4-methylphenyl)-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-[3-(4-methylphenyl)-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetyl]amino]acetate
PubChem CID18563313
Molecular FormulaC23H21N3O6
Molecular Weight435.44 g/mol
Exact Mass435.14
IUPAC Nameethyl 2-[[2-[3-(4-methylphenyl)-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)Cn1c(=O)n(-c2ccc(C)cc2)c(=O)c2oc3ccccc3c21
InChIInChI=1S/C23H21N3O6/c1-3-31-19(28)12-24-18(27)13-25-20-16-6-4-5-7-17(16)32-21(20)22(29)26(23(25)30)15-10-8-14(2)9-11-15/h4-11H,3,12-13H2,1-2H3,(H,24,27)
InChIKeyYAHYQJRTECQABT-UHFFFAOYSA-N
XLogP1.89
TPSA112.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.44
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 2-[[2-[3-(4-methylphenyl)-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetyl]amino]acetate with MolForge

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(4-methylphenyl)-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetamide
CID 18563315
N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(4-methylphenyl)-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetamide
CID 16798892
2-[3-(4-fluorophenyl)-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-(3-methylphenyl)acetamide
CID 18563318
N-(4-acetylphenyl)-2-[3-(4-fluorophenyl)-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetamide
CID 18563331
1-[2-(azepan-1-yl)-2-oxoethyl]-3-phenyl-[1]benzofuro[3,2-d]pyrimidine-2,4-dione
CID 7207914
2-[3-[(4-methoxyphenyl)methyl]-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-(4-methylphenyl)acetamide
CID 18591039
2-[1-[(4-chlorophenyl)methyl]-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-3-yl]-N-propylacetamide
CID 50845557
2-[3-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-(4-methylphenyl)acetamide
CID 71821887
2-[3-(4-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 22429464
2-(3-benzyl-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl)-N-(2,4-dimethylphenyl)acetamide
CID 18559848
2-(3-butyl-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl)-N-(2-ethoxyphenyl)acetamide
CID 16801074
N-(4-methylphenyl)-2-[3-(4-methylphenyl)-2,4-dioxoquinazolin-1-yl]acetamide
CID 22429419

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[3-(4-methylphenyl)-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetyl]amino]acetate?
The IUPAC name of ethyl 2-[[2-[3-(4-methylphenyl)-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetyl]amino]acetate (CID 18563313) is ethyl 2-[[2-[3-(4-methylphenyl)-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-[3-(4-methylphenyl)-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetyl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-[3-(4-methylphenyl)-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetyl]amino]acetate is CCOC(=O)CNC(=O)Cn1c(=O)n(-c2ccc(C)cc2)c(=O)c2oc3ccccc3c21.
What is the InChIKey of ethyl 2-[[2-[3-(4-methylphenyl)-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetyl]amino]acetate?
The InChIKey is YAHYQJRTECQABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O6/c1-3-31-19(28)12-24-18(27)13-25-20-16-6-4-5-7-17(16)32-21(20)22(29)26(23(25)30)15-10-8-14(2)9-11-15/h4-11H,3,12-13H2,1-2H3,(H,24,27).
What are the key properties of ethyl 2-[[2-[3-(4-methylphenyl)-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetyl]amino]acetate?
ethyl 2-[[2-[3-(4-methylphenyl)-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetyl]amino]acetate has a molecular weight of 435.44 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[3-(4-methylphenyl)-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetyl]amino]acetate is sourced from PubChem (CID 18563313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).