2-(3-butyl-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl)-N-(2-ethoxyphenyl)acetamide

C24H25N3O5 — CID 16801074

IUPAC2-(3-butyl-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl)-N-(2-ethoxyphenyl)acetamide
SMILESCCCCn1c(=O)c2oc3ccccc3c2n(CC(=O)Nc2ccccc2OCC)c1=O
InChIInChI=1S/C24H25N3O5/c1-3-5-14-26-23(29)22-21(16-10-6-8-12-18(16)32-22)27(24(26)30)15-20(28)25-17-11-7-9-13-19(17)31-4-2/h6-13H,3-5,14-15H2,1-2H3,(H,25,28)
InChIKeyLBSGQMCVHBVQHN-UHFFFAOYSA-N
MW435.48 g/mol
LogP3.75
Rot. Bonds8

About 2-(3-butyl-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl)-N-(2-ethoxyphenyl)acetamide

2-(3-butyl-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl)-N-(2-ethoxyphenyl)acetamide (PubChem CID 16801074) has the molecular formula C24H25N3O5 and a molecular weight of 435.48 g/mol. Its IUPAC name is 2-(3-butyl-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl)-N-(2-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(3-butyl-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl)-N-(2-ethoxyphenyl)acetamide
PubChem CID16801074
Molecular FormulaC24H25N3O5
Molecular Weight435.48 g/mol
Exact Mass435.18
IUPAC Name2-(3-butyl-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl)-N-(2-ethoxyphenyl)acetamide
SMILESCCCCn1c(=O)c2oc3ccccc3c2n(CC(=O)Nc2ccccc2OCC)c1=O
InChIInChI=1S/C24H25N3O5/c1-3-5-14-26-23(29)22-21(16-10-6-8-12-18(16)32-22)27(24(26)30)15-20(28)25-17-11-7-9-13-19(17)31-4-2/h6-13H,3-5,14-15H2,1-2H3,(H,25,28)
InChIKeyLBSGQMCVHBVQHN-UHFFFAOYSA-N
XLogP3.75
TPSA95.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,5-difluorophenyl)-2-[2,4-dioxo-3-(2-phenylethyl)-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetamide
CID 53334662
N-(2-chlorophenyl)-2-[3-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetamide
CID 71821888
2-(3-benzyl-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl)-N-(2,4-dimethylphenyl)acetamide
CID 18559848
N-(4-chloro-2-fluorophenyl)-2-[2,4-dioxo-3-(2-phenylethyl)-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetamide
CID 53365739
2-[3-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 71821808
2-[3-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-(4-methylphenyl)acetamide
CID 71821887
methyl 2-[[2-(3-butyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]benzoate
CID 45030646
2-[3-[(4-methoxyphenyl)methyl]-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-phenylacetamide
CID 20900412
2-[3-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-propan-2-ylacetamide
CID 71821831
N-(3-chlorophenyl)-2-[2,4-dioxo-3-(2-phenylethyl)-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetamide
CID 53365733
4-[1-[2-(2-ethoxyanilino)-2-oxoethyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]-N-[(4-methylphenyl)methyl]butanamide
CID 22428131
2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-(2-ethoxyphenyl)acetamide
CID 2158329

Frequently Asked Questions

What is the IUPAC name of 2-(3-butyl-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl)-N-(2-ethoxyphenyl)acetamide?
The IUPAC name of 2-(3-butyl-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl)-N-(2-ethoxyphenyl)acetamide (CID 16801074) is 2-(3-butyl-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl)-N-(2-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-(3-butyl-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl)-N-(2-ethoxyphenyl)acetamide?
The canonical SMILES for 2-(3-butyl-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl)-N-(2-ethoxyphenyl)acetamide is CCCCn1c(=O)c2oc3ccccc3c2n(CC(=O)Nc2ccccc2OCC)c1=O.
What is the InChIKey of 2-(3-butyl-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl)-N-(2-ethoxyphenyl)acetamide?
The InChIKey is LBSGQMCVHBVQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O5/c1-3-5-14-26-23(29)22-21(16-10-6-8-12-18(16)32-22)27(24(26)30)15-20(28)25-17-11-7-9-13-19(17)31-4-2/h6-13H,3-5,14-15H2,1-2H3,(H,25,28).
What are the key properties of 2-(3-butyl-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl)-N-(2-ethoxyphenyl)acetamide?
2-(3-butyl-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl)-N-(2-ethoxyphenyl)acetamide has a molecular weight of 435.48 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butyl-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl)-N-(2-ethoxyphenyl)acetamide is sourced from PubChem (CID 16801074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).