N'-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-N'-hydroxyoctanediamide

C21H26N4O6 — CID 171591892

IUPACN'-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-N'-hydroxyoctanediamide
SMILESNC(=O)CCCCCCC(=O)N(O)c1cccc2c1CN(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C21H26N4O6/c22-17(26)8-3-1-2-4-9-19(28)25(31)15-7-5-6-13-14(15)12-24(21(13)30)16-10-11-18(27)23-20(16)29/h5-7,16,31H,1-4,8-12H2,(H2,22,26)(H,23,27,29)
InChIKeyFXKQBGMZBZFMPM-UHFFFAOYSA-N
MW430.46 g/mol
LogP1.00
Rot. Bonds9

About N'-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-N'-hydroxyoctanediamide

N'-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-N'-hydroxyoctanediamide (PubChem CID 171591892) has the molecular formula C21H26N4O6 and a molecular weight of 430.46 g/mol. Its IUPAC name is N'-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-N'-hydroxyoctanediamide.

Molecular Properties

Compound NameN'-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-N'-hydroxyoctanediamide
PubChem CID171591892
Molecular FormulaC21H26N4O6
Molecular Weight430.46 g/mol
Exact Mass430.19
IUPAC NameN'-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-N'-hydroxyoctanediamide
SMILESNC(=O)CCCCCCC(=O)N(O)c1cccc2c1CN(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C21H26N4O6/c22-17(26)8-3-1-2-4-9-19(28)25(31)15-7-5-6-13-14(15)12-24(21(13)30)16-10-11-18(27)23-20(16)29/h5-7,16,31H,1-4,8-12H2,(H2,22,26)(H,23,27,29)
InChIKeyFXKQBGMZBZFMPM-UHFFFAOYSA-N
XLogP1.00
TPSA150.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]sulfanyl]propanamide
CID 175732958
2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]sulfanyl]acetamide
CID 154689467
[tert-butyl-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino] hexanoate
CID 175565696
3-[7-[4-aminobutyl(3-aminopropyl)amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 170701920
3-[7-[4-aminobutyl(3-aminopropyl)amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;dihydrochloride
CID 170701919
[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-(5-phenylpentyl)carbamic acid
CID 141341746
12-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]sulfanyl]dodecanoic acid
CID 153351519
(3S)-3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 12044976
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-6-hydroxyhexanamide
CID 155292313
4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]butanoic acid
CID 156735808
9-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]sulfonyl]nonanoic acid
CID 152570559
11-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]undec-10-ynoic acid
CID 155195041

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-N'-hydroxyoctanediamide?
The IUPAC name of N'-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-N'-hydroxyoctanediamide (CID 171591892) is N'-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-N'-hydroxyoctanediamide.
What is the SMILES notation for N'-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-N'-hydroxyoctanediamide?
The canonical SMILES for N'-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-N'-hydroxyoctanediamide is NC(=O)CCCCCCC(=O)N(O)c1cccc2c1CN(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of N'-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-N'-hydroxyoctanediamide?
The InChIKey is FXKQBGMZBZFMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O6/c22-17(26)8-3-1-2-4-9-19(28)25(31)15-7-5-6-13-14(15)12-24(21(13)30)16-10-11-18(27)23-20(16)29/h5-7,16,31H,1-4,8-12H2,(H2,22,26)(H,23,27,29).
What are the key properties of N'-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-N'-hydroxyoctanediamide?
N'-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-N'-hydroxyoctanediamide has a molecular weight of 430.46 g/mol, XLogP of 1.00, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-N'-hydroxyoctanediamide is sourced from PubChem (CID 171591892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).