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

C20H24N4O6 — CID 175767467

IUPAC3-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxy]-N-methylpropanamide
SMILESCNC(=O)CCOCCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C20H24N4O6/c1-21-15(25)8-11-30-10-3-9-22-13-5-2-4-12-17(13)20(29)24(19(12)28)14-6-7-16(26)23-18(14)27/h2,4-5,14,22H,3,6-11H2,1H3,(H,21,25)(H,23,26,27)
InChIKeyKUHWNCWBSMYRAL-UHFFFAOYSA-N
MW416.43 g/mol
LogP0.04
Rot. Bonds9

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

3-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxy]-N-methylpropanamide (PubChem CID 175767467) has the molecular formula C20H24N4O6 and a molecular weight of 416.43 g/mol. Its IUPAC name is 3-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxy]-N-methylpropanamide.

Molecular Properties

Compound Name3-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxy]-N-methylpropanamide
PubChem CID175767467
Molecular FormulaC20H24N4O6
Molecular Weight416.43 g/mol
Exact Mass416.17
IUPAC Name3-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxy]-N-methylpropanamide
SMILESCNC(=O)CCOCCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C20H24N4O6/c1-21-15(25)8-11-30-10-3-9-22-13-5-2-4-12-17(13)20(29)24(19(12)28)14-6-7-16(26)23-18(14)27/h2,4-5,14,22H,3,6-11H2,1H3,(H,21,25)(H,23,26,27)
InChIKeyKUHWNCWBSMYRAL-UHFFFAOYSA-N
XLogP0.04
TPSA133.91 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.43
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxy]propoxy]propylcarbamic acid
CID 166772051
butyl 3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]propanoate
CID 175817976
2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-(3-hydroxypropoxy)ethoxy]ethylamino]isoindole-1,3-dione
CID 166152544
tert-butyl 5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentanoate
CID 146410711
N-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]acetamide
CID 154003382
2-(2,6-dioxopiperidin-3-yl)-4-(6-oxoheptylamino)isoindole-1,3-dione;ethane
CID 170704031
2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamic acid
CID 166772095
2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethylcarbamic acid
CID 146309802
4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl carbamate
CID 175445106
4-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl N-[3-[2-[2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxy]ethoxy]ethoxy]propyl]carbamate
CID 163966525
16-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexadecanamide
CID 171853695

Frequently Asked Questions

What is the IUPAC name of 3-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxy]-N-methylpropanamide?
The IUPAC name of 3-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxy]-N-methylpropanamide (CID 175767467) is 3-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxy]-N-methylpropanamide.
What is the SMILES notation for 3-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxy]-N-methylpropanamide?
The canonical SMILES for 3-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxy]-N-methylpropanamide is CNC(=O)CCOCCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of 3-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxy]-N-methylpropanamide?
The InChIKey is KUHWNCWBSMYRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O6/c1-21-15(25)8-11-30-10-3-9-22-13-5-2-4-12-17(13)20(29)24(19(12)28)14-6-7-16(26)23-18(14)27/h2,4-5,14,22H,3,6-11H2,1H3,(H,21,25)(H,23,26,27).
What are the key properties of 3-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxy]-N-methylpropanamide?
3-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxy]-N-methylpropanamide has a molecular weight of 416.43 g/mol, XLogP of 0.04, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxy]-N-methylpropanamide is sourced from PubChem (CID 175767467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).