N-[2-(6-hydroxy-3-methyl-2,5-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide

C16H15N3O6 — CID 91166963

IUPACN-[2-(6-hydroxy-3-methyl-2,5-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide
SMILESCC(=O)Nc1cccc2c1C(=O)N(C1(C)CC(=O)C(O)NC1=O)C2=O
InChIInChI=1S/C16H15N3O6/c1-7(20)17-9-5-3-4-8-11(9)14(24)19(13(8)23)16(2)6-10(21)12(22)18-15(16)25/h3-5,12,22H,6H2,1-2H3,(H,17,20)(H,18,25)
InChIKeyLICNBDMFYUNHSF-UHFFFAOYSA-N
MW345.31 g/mol
LogP-0.59
Rot. Bonds2

About N-[2-(6-hydroxy-3-methyl-2,5-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide

N-[2-(6-hydroxy-3-methyl-2,5-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide (PubChem CID 91166963) has the molecular formula C16H15N3O6 and a molecular weight of 345.31 g/mol. Its IUPAC name is N-[2-(6-hydroxy-3-methyl-2,5-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-(6-hydroxy-3-methyl-2,5-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide
PubChem CID91166963
Molecular FormulaC16H15N3O6
Molecular Weight345.31 g/mol
Exact Mass345.10
IUPAC NameN-[2-(6-hydroxy-3-methyl-2,5-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide
SMILESCC(=O)Nc1cccc2c1C(=O)N(C1(C)CC(=O)C(O)NC1=O)C2=O
InChIInChI=1S/C16H15N3O6/c1-7(20)17-9-5-3-4-8-11(9)14(24)19(13(8)23)16(2)6-10(21)12(22)18-15(16)25/h3-5,12,22H,6H2,1-2H3,(H,17,20)(H,18,25)
InChIKeyLICNBDMFYUNHSF-UHFFFAOYSA-N
XLogP-0.59
TPSA132.88 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.31
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-fluoro-6-hydroxy-2,5-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide
CID 91346708
2-(3-fluoro-6-hydroxy-2,5-dioxopiperidin-3-yl)-4-methylisoindole-1,3-dione
CID 90687936
N-[2-(3-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]benzamide
CID 142663798
methane;N-[2-(3-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanamide
CID 158707870
N-[[3-(4-acetamido-1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-3-yl]methyl]acetamide
CID 58572144
2-amino-N-[2-(3-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide
CID 11530279
N-[2-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-4-yl]acetamide
CID 3898701
2-azido-N-[2-[(3S)-3-methyl-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-4-yl]acetamide
CID 86607663
N-(2-methyl-1,3-dioxoisoindol-4-yl)cyclobutanecarboxamide
CID 47074120
N-(1,3,4-trioxoisoquinolin-5-yl)acetamide
CID 11572178
N-(1,3-dioxo-2-benzofuran-4-yl)acetamide;ethane
CID 143956506
N-[2-[(1S)-1-fluoro-2-[(S)-methylsulfinyl]ethyl]-1,3-dioxoisoindol-4-yl]acetamide
CID 170115852

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-hydroxy-3-methyl-2,5-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide?
The IUPAC name of N-[2-(6-hydroxy-3-methyl-2,5-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide (CID 91166963) is N-[2-(6-hydroxy-3-methyl-2,5-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide.
What is the SMILES notation for N-[2-(6-hydroxy-3-methyl-2,5-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide?
The canonical SMILES for N-[2-(6-hydroxy-3-methyl-2,5-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide is CC(=O)Nc1cccc2c1C(=O)N(C1(C)CC(=O)C(O)NC1=O)C2=O.
What is the InChIKey of N-[2-(6-hydroxy-3-methyl-2,5-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide?
The InChIKey is LICNBDMFYUNHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O6/c1-7(20)17-9-5-3-4-8-11(9)14(24)19(13(8)23)16(2)6-10(21)12(22)18-15(16)25/h3-5,12,22H,6H2,1-2H3,(H,17,20)(H,18,25).
What are the key properties of N-[2-(6-hydroxy-3-methyl-2,5-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide?
N-[2-(6-hydroxy-3-methyl-2,5-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide has a molecular weight of 345.31 g/mol, XLogP of -0.59, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-hydroxy-3-methyl-2,5-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide is sourced from PubChem (CID 91166963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).