2-[3-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide

C28H30N4O8 — CID 71821808

IUPAC2-[3-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)Cn2c(=O)n(CC(=O)NC3CCCC3)c(=O)c3oc4ccccc4c32)cc(OC)c1OC
InChIInChI=1S/C28H30N4O8/c1-37-20-12-17(13-21(38-2)25(20)39-3)30-22(33)14-31-24-18-10-6-7-11-19(18)40-26(24)27(35)32(28(31)36)15-23(34)29-16-8-4-5-9-16/h6-7,10-13,16H,4-5,8-9,14-15H2,1-3H3,(H,29,34)(H,30,33)
InChIKeyAMNREIVNIXKPBO-UHFFFAOYSA-N
MW550.57 g/mol
LogP2.63
Rot. Bonds9

About 2-[3-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide

2-[3-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 71821808) has the molecular formula C28H30N4O8 and a molecular weight of 550.57 g/mol. Its IUPAC name is 2-[3-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[3-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID71821808
Molecular FormulaC28H30N4O8
Molecular Weight550.57 g/mol
Exact Mass550.21
IUPAC Name2-[3-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)Cn2c(=O)n(CC(=O)NC3CCCC3)c(=O)c3oc4ccccc4c32)cc(OC)c1OC
InChIInChI=1S/C28H30N4O8/c1-37-20-12-17(13-21(38-2)25(20)39-3)30-22(33)14-31-24-18-10-6-7-11-19(18)40-26(24)27(35)32(28(31)36)15-23(34)29-16-8-4-5-9-16/h6-7,10-13,16H,4-5,8-9,14-15H2,1-3H3,(H,29,34)(H,30,33)
InChIKeyAMNREIVNIXKPBO-UHFFFAOYSA-N
XLogP2.63
TPSA143.03 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.57
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

2-[3-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-(4-methylphenyl)acetamide
CID 71821887
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-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-propan-2-ylacetamide
CID 71821831
2-[3-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-(2,3-dihydro-1H-inden-1-yl)acetamide
CID 71821790
N-cyclopentyl-2-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-3-yl]acetamide
CID 71821807
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-dioxoquinazolin-1-yl]-N-phenylacetamide
CID 22430011
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 6502231
2-[3-[(4-methoxyphenyl)methyl]-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-(4-methylphenyl)acetamide
CID 18591039
N-(3-chlorophenyl)-2-[2,4-dioxo-3-(2-phenylethyl)-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetamide
CID 53365733
N-cyclooctyl-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 22110617
2-[2,4-dioxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-3-yl]-N-propan-2-ylacetamide
CID 53338012

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of 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) is 2-[3-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[3-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for 2-[3-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(NC(=O)Cn2c(=O)n(CC(=O)NC3CCCC3)c(=O)c3oc4ccccc4c32)cc(OC)c1OC.
What is the InChIKey of 2-[3-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is AMNREIVNIXKPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O8/c1-37-20-12-17(13-21(38-2)25(20)39-3)30-22(33)14-31-24-18-10-6-7-11-19(18)40-26(24)27(35)32(28(31)36)15-23(34)29-16-8-4-5-9-16/h6-7,10-13,16H,4-5,8-9,14-15H2,1-3H3,(H,29,34)(H,30,33).
What are the key properties of 2-[3-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide?
2-[3-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 550.57 g/mol, XLogP of 2.63, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 71821808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).