N-cyclopentyl-2-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-3-yl]acetamide

C27H26N4O5 — CID 71821807

IUPACN-cyclopentyl-2-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-3-yl]acetamide
SMILESO=C(Cn1c(=O)c2oc3ccccc3c2n(CC(=O)N2CCc3ccccc32)c1=O)NC1CCCC1
InChIInChI=1S/C27H26N4O5/c32-22(28-18-8-2-3-9-18)15-31-26(34)25-24(19-10-4-6-12-21(19)36-25)30(27(31)35)16-23(33)29-14-13-17-7-1-5-11-20(17)29/h1,4-7,10-12,18H,2-3,8-9,13-16H2,(H,28,32)
InChIKeyBVEJZKYGIRCKTK-UHFFFAOYSA-N
MW486.53 g/mol
LogP2.56
Rot. Bonds5

About N-cyclopentyl-2-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-3-yl]acetamide

N-cyclopentyl-2-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-3-yl]acetamide (PubChem CID 71821807) has the molecular formula C27H26N4O5 and a molecular weight of 486.53 g/mol. Its IUPAC name is N-cyclopentyl-2-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-3-yl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-3-yl]acetamide
PubChem CID71821807
Molecular FormulaC27H26N4O5
Molecular Weight486.53 g/mol
Exact Mass486.19
IUPAC NameN-cyclopentyl-2-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-3-yl]acetamide
SMILESO=C(Cn1c(=O)c2oc3ccccc3c2n(CC(=O)N2CCc3ccccc32)c1=O)NC1CCCC1
InChIInChI=1S/C27H26N4O5/c32-22(28-18-8-2-3-9-18)15-31-26(34)25-24(19-10-4-6-12-21(19)36-25)30(27(31)35)16-23(33)29-14-13-17-7-1-5-11-20(17)29/h1,4-7,10-12,18H,2-3,8-9,13-16H2,(H,28,32)
InChIKeyBVEJZKYGIRCKTK-UHFFFAOYSA-N
XLogP2.56
TPSA106.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.53
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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
1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-(2-phenylethyl)-[1]benzofuro[3,2-d]pyrimidine-2,4-dione
CID 53334673
2-[3-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-propan-2-ylacetamide
CID 71821831
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-(4-methylphenyl)acetamide
CID 71821887
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-[2,4-dioxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-3-yl]-N-propan-2-ylacetamide
CID 53338012
N-cyclooctyl-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 22110617
N-cyclohexyl-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 8686666
N-cyclohexyl-2-[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]acetamide
CID 110984132
1-[2-(azepan-1-yl)-2-oxoethyl]-3-phenyl-[1]benzofuro[3,2-d]pyrimidine-2,4-dione
CID 7207914
N-cyclohexyl-2-[3-(2-methylpropyl)-2,4-dioxoquinazolin-1-yl]acetamide
CID 45030701

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-3-yl]acetamide?
The IUPAC name of 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) is N-cyclopentyl-2-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-3-yl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-3-yl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-3-yl]acetamide is O=C(Cn1c(=O)c2oc3ccccc3c2n(CC(=O)N2CCc3ccccc32)c1=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-3-yl]acetamide?
The InChIKey is BVEJZKYGIRCKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O5/c32-22(28-18-8-2-3-9-18)15-31-26(34)25-24(19-10-4-6-12-21(19)36-25)30(27(31)35)16-23(33)29-14-13-17-7-1-5-11-20(17)29/h1,4-7,10-12,18H,2-3,8-9,13-16H2,(H,28,32).
What are the key properties of N-cyclopentyl-2-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-3-yl]acetamide?
N-cyclopentyl-2-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-3-yl]acetamide has a molecular weight of 486.53 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-3-yl]acetamide is sourced from PubChem (CID 71821807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).