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

C16H16N4O5 — CID 11530279

IUPAC2-amino-N-[2-(3-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide
SMILESCC1(N2C(=O)c3cccc(NC(=O)CN)c3C2=O)CCC(=O)NC1=O
InChIInChI=1S/C16H16N4O5/c1-16(6-5-10(21)19-15(16)25)20-13(23)8-3-2-4-9(12(8)14(20)24)18-11(22)7-17/h2-4H,5-7,17H2,1H3,(H,18,22)(H,19,21,25)
InChIKeyIXIKOANYTSMJSM-UHFFFAOYSA-N
MW344.33 g/mol
LogP-0.62
Rot. Bonds3

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

2-amino-N-[2-(3-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide (PubChem CID 11530279) has the molecular formula C16H16N4O5 and a molecular weight of 344.33 g/mol. Its IUPAC name is 2-amino-N-[2-(3-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-(3-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide
PubChem CID11530279
Molecular FormulaC16H16N4O5
Molecular Weight344.33 g/mol
Exact Mass344.11
IUPAC Name2-amino-N-[2-(3-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide
SMILESCC1(N2C(=O)c3cccc(NC(=O)CN)c3C2=O)CCC(=O)NC1=O
InChIInChI=1S/C16H16N4O5/c1-16(6-5-10(21)19-15(16)25)20-13(23)8-3-2-4-9(12(8)14(20)24)18-11(22)7-17/h2-4H,5-7,17H2,1H3,(H,18,22)(H,19,21,25)
InChIKeyIXIKOANYTSMJSM-UHFFFAOYSA-N
XLogP-0.62
TPSA138.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 5-0.62
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

methane;N-[2-(3-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanamide
CID 158707870
2-azido-N-[2-[(3S)-3-methyl-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-4-yl]acetamide
CID 86607663
N-[2-(3-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]benzamide
CID 142663798
2-amino-N-[2-[[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]methyl]-1,3-dioxoinden-4-yl]acetamide
CID 143269994
ethane;2-(3-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 163267686
N-[[3-(4-acetamido-1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-3-yl]methyl]acetamide
CID 58572144
4-(2,4-dimethoxyanilino)-2-[(3S)-3-methyl-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione
CID 58827353
2-[(3S)-3-methyl-2,6-dioxopiperidin-3-yl]-4-nitroisoindole-1,3-dione
CID 10805414
N-[2-(6-hydroxy-3-methyl-2,5-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide
CID 91166963
3-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanamide
CID 155292100
4-amino-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]butanamide
CID 155292086
3-(7-amino-1-hydroxy-1-methyl-3-oxoisoindol-2-yl)-3-methylpiperidine-2,6-dione
CID 123881098

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(3-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide?
The IUPAC name of 2-amino-N-[2-(3-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide (CID 11530279) is 2-amino-N-[2-(3-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide.
What is the SMILES notation for 2-amino-N-[2-(3-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide?
The canonical SMILES for 2-amino-N-[2-(3-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide is CC1(N2C(=O)c3cccc(NC(=O)CN)c3C2=O)CCC(=O)NC1=O.
What is the InChIKey of 2-amino-N-[2-(3-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide?
The InChIKey is IXIKOANYTSMJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O5/c1-16(6-5-10(21)19-15(16)25)20-13(23)8-3-2-4-9(12(8)14(20)24)18-11(22)7-17/h2-4H,5-7,17H2,1H3,(H,18,22)(H,19,21,25).
What are the key properties of 2-amino-N-[2-(3-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide?
2-amino-N-[2-(3-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide has a molecular weight of 344.33 g/mol, XLogP of -0.62, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(3-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide is sourced from PubChem (CID 11530279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).