2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-methylamino]-N-methylacetamide

C17H18N4O5 — CID 71211499

IUPAC2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)c1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C17H18N4O5/c1-18-13(23)8-20(2)10-5-3-4-9-14(10)17(26)21(16(9)25)11-6-7-12(22)19-15(11)24/h3-5,11H,6-8H2,1-2H3,(H,18,23)(H,19,22,24)
InChIKeyVREJISDKTQDDKC-UHFFFAOYSA-N
MW358.35 g/mol
LogP-0.73
Rot. Bonds4

About 2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-methylamino]-N-methylacetamide

2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-methylamino]-N-methylacetamide (PubChem CID 71211499) has the molecular formula C17H18N4O5 and a molecular weight of 358.35 g/mol. Its IUPAC name is 2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-methylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-methylamino]-N-methylacetamide
PubChem CID71211499
Molecular FormulaC17H18N4O5
Molecular Weight358.35 g/mol
Exact Mass358.13
IUPAC Name2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)c1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C17H18N4O5/c1-18-13(23)8-20(2)10-5-3-4-9-14(10)17(26)21(16(9)25)11-6-7-12(22)19-15(11)24/h3-5,11H,6-8H2,1-2H3,(H,18,23)(H,19,22,24)
InChIKeyVREJISDKTQDDKC-UHFFFAOYSA-N
XLogP-0.73
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-methylamino]propanoic acid
CID 171158371
1-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-methylamino]ethyl]piperidine-4-carboxylic acid
CID 175660737
2-(2,6-dioxopiperidin-3-yl)-4-[methyl-[(3-methyloxetan-3-yl)methyl]amino]isoindole-1,3-dione
CID 175659786
2-(2,6-dioxopiperidin-3-yl)-4-[methyl(pyrrolidin-3-ylmethyl)amino]isoindole-1,3-dione
CID 171158422
1-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methyl]-3-ethyl-1-methylurea
CID 24896343
2-[(3R)-2,6-dioxopiperidin-3-yl]-4-(methylamino)isoindole-1,3-dione
CID 139441450
2-(2,6-dioxopiperidin-3-yl)-4-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]isoindole-1,3-dione
CID 175660820
6-tert-butyl-6-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-methylamino]ethyl]-2-azaspiro[3.3]heptane-2-carboxylic acid
CID 166666589
1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propan-2-yl N-methylcarbamate
CID 175085961
3-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]-N-methylpropanamide
CID 166807997
3-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxy]-N-methylpropanamide
CID 175767467
2-(2,6-dioxopiperidin-3-yl)-4-methyliodanuidylisoindole-1,3-dione
CID 156883025

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-methylamino]-N-methylacetamide?
The IUPAC name of 2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-methylamino]-N-methylacetamide (CID 71211499) is 2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-methylamino]-N-methylacetamide.
What is the SMILES notation for 2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-methylamino]-N-methylacetamide?
The canonical SMILES for 2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-methylamino]-N-methylacetamide is CNC(=O)CN(C)c1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of 2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-methylamino]-N-methylacetamide?
The InChIKey is VREJISDKTQDDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O5/c1-18-13(23)8-20(2)10-5-3-4-9-14(10)17(26)21(16(9)25)11-6-7-12(22)19-15(11)24/h3-5,11H,6-8H2,1-2H3,(H,18,23)(H,19,22,24).
What are the key properties of 2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-methylamino]-N-methylacetamide?
2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-methylamino]-N-methylacetamide has a molecular weight of 358.35 g/mol, XLogP of -0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-methylamino]-N-methylacetamide is sourced from PubChem (CID 71211499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).