N-(1-benzofuran-4-yl)-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetamide

C23H18N4O6 — CID 166426233

IUPACN-(1-benzofuran-4-yl)-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetamide
SMILESO=C1CCC(N2C(=O)c3cccc(NCC(=O)Nc4cccc5occc45)c3C2=O)C(=O)N1
InChIInChI=1S/C23H18N4O6/c28-18-8-7-16(21(30)26-18)27-22(31)13-3-1-5-15(20(13)23(27)32)24-11-19(29)25-14-4-2-6-17-12(14)9-10-33-17/h1-6,9-10,16,24H,7-8,11H2,(H,25,29)(H,26,28,30)
InChIKeyRREOGQVZVQFCSQ-UHFFFAOYSA-N
MW446.42 g/mol
LogP1.88
Rot. Bonds5

About N-(1-benzofuran-4-yl)-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetamide

N-(1-benzofuran-4-yl)-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetamide (PubChem CID 166426233) has the molecular formula C23H18N4O6 and a molecular weight of 446.42 g/mol. Its IUPAC name is N-(1-benzofuran-4-yl)-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetamide.

Molecular Properties

Compound NameN-(1-benzofuran-4-yl)-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetamide
PubChem CID166426233
Molecular FormulaC23H18N4O6
Molecular Weight446.42 g/mol
Exact Mass446.12
IUPAC NameN-(1-benzofuran-4-yl)-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetamide
SMILESO=C1CCC(N2C(=O)c3cccc(NCC(=O)Nc4cccc5occc45)c3C2=O)C(=O)N1
InChIInChI=1S/C23H18N4O6/c28-18-8-7-16(21(30)26-18)27-22(31)13-3-1-5-15(20(13)23(27)32)24-11-19(29)25-14-4-2-6-17-12(14)9-10-33-17/h1-6,9-10,16,24H,7-8,11H2,(H,25,29)(H,26,28,30)
InChIKeyRREOGQVZVQFCSQ-UHFFFAOYSA-N
XLogP1.88
TPSA137.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.42
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]propanoic acid
CID 166426172
N-[2-[(3S)-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-4-yl]-2-methoxyacetamide;sulfane
CID 157200020
4-amino-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]butanamide
CID 155292086
N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-5-hydroxypentanamide
CID 155292111
10-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]decylcarbamic acid
CID 155011882
6-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]hexanoic acid
CID 154675498
methyl 4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-4-oxobutanoate
CID 10134792
N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-6-hydroxyhexanamide
CID 155292112
4-[[2-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 166426144
5-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethylamino]-5-oxopentanoic acid
CID 156828353
4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butanal;methanol
CID 168902985
4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]cyclohexane-1-carboxylic acid
CID 175333442

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-4-yl)-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetamide?
The IUPAC name of N-(1-benzofuran-4-yl)-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetamide (CID 166426233) is N-(1-benzofuran-4-yl)-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetamide.
What is the SMILES notation for N-(1-benzofuran-4-yl)-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetamide?
The canonical SMILES for N-(1-benzofuran-4-yl)-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetamide is O=C1CCC(N2C(=O)c3cccc(NCC(=O)Nc4cccc5occc45)c3C2=O)C(=O)N1.
What is the InChIKey of N-(1-benzofuran-4-yl)-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetamide?
The InChIKey is RREOGQVZVQFCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O6/c28-18-8-7-16(21(30)26-18)27-22(31)13-3-1-5-15(20(13)23(27)32)24-11-19(29)25-14-4-2-6-17-12(14)9-10-33-17/h1-6,9-10,16,24H,7-8,11H2,(H,25,29)(H,26,28,30).
What are the key properties of N-(1-benzofuran-4-yl)-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetamide?
N-(1-benzofuran-4-yl)-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetamide has a molecular weight of 446.42 g/mol, XLogP of 1.88, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-4-yl)-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetamide is sourced from PubChem (CID 166426233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).