2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]-N-phenylacetamide

C21H19N3O5 — CID 166426637

IUPAC2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]-N-phenylacetamide
SMILESO=C1CCC(N2Cc3cc(OCC(=O)Nc4ccccc4)ccc3C2=O)C(=O)N1
InChIInChI=1S/C21H19N3O5/c25-18-9-8-17(20(27)23-18)24-11-13-10-15(6-7-16(13)21(24)28)29-12-19(26)22-14-4-2-1-3-5-14/h1-7,10,17H,8-9,11-12H2,(H,22,26)(H,23,25,27)
InChIKeySJMDMFWVHAHVES-UHFFFAOYSA-N
MW393.40 g/mol
LogP1.47
Rot. Bonds5

About 2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]-N-phenylacetamide

2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]-N-phenylacetamide (PubChem CID 166426637) has the molecular formula C21H19N3O5 and a molecular weight of 393.40 g/mol. Its IUPAC name is 2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]-N-phenylacetamide.

Molecular Properties

Compound Name2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]-N-phenylacetamide
PubChem CID166426637
Molecular FormulaC21H19N3O5
Molecular Weight393.40 g/mol
Exact Mass393.13
IUPAC Name2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]-N-phenylacetamide
SMILESO=C1CCC(N2Cc3cc(OCC(=O)Nc4ccccc4)ccc3C2=O)C(=O)N1
InChIInChI=1S/C21H19N3O5/c25-18-9-8-17(20(27)23-18)24-11-13-10-15(6-7-16(13)21(24)28)29-12-19(26)22-14-4-2-1-3-5-14/h1-7,10,17H,8-9,11-12H2,(H,22,26)(H,23,25,27)
InChIKeySJMDMFWVHAHVES-UHFFFAOYSA-N
XLogP1.47
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]-N-(3-sulfamoylphenyl)acetamide
CID 166426639
2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 167878585
tert-butyl 2-[[2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]oxy]acetate
CID 178169099
3-[6-(2-bromoethoxy)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167272836
2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]-N-[2-(3-methylbutoxy)ethyl]acetamide
CID 166910030
benzyl N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]pentyl]carbamate
CID 156512176
3-[6-[2-[2-(3-hydroxypropoxy)ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 165380108
3-[3-oxo-6-(2-piperidin-1-ylethoxy)-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166875832
3-[6-[(4-methylcyclohexyl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 155331384
(3S)-3-[6-[1-(benzylamino)cyclobutyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 175124711
N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]hexyl]-3-methylbutanamide
CID 174200047
N,N'-bis[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]propanediamide
CID 166027073

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]-N-phenylacetamide?
The IUPAC name of 2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]-N-phenylacetamide (CID 166426637) is 2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]-N-phenylacetamide.
What is the SMILES notation for 2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]-N-phenylacetamide?
The canonical SMILES for 2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]-N-phenylacetamide is O=C1CCC(N2Cc3cc(OCC(=O)Nc4ccccc4)ccc3C2=O)C(=O)N1.
What is the InChIKey of 2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]-N-phenylacetamide?
The InChIKey is SJMDMFWVHAHVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O5/c25-18-9-8-17(20(27)23-18)24-11-13-10-15(6-7-16(13)21(24)28)29-12-19(26)22-14-4-2-1-3-5-14/h1-7,10,17H,8-9,11-12H2,(H,22,26)(H,23,25,27).
What are the key properties of 2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]-N-phenylacetamide?
2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]-N-phenylacetamide has a molecular weight of 393.40 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]-N-phenylacetamide is sourced from PubChem (CID 166426637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).