N-[1-[1-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]ethoxy]ethyl]acetamide

C19H24N4O5 — CID 142743623

IUPACN-[1-[1-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]ethoxy]ethyl]acetamide
SMILESCC(=O)NC(C)OC(C)Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C19H24N4O5/c1-10(24)20-11(2)28-12(3)21-15-6-4-5-13-14(15)9-23(19(13)27)16-7-8-17(25)22-18(16)26/h4-6,11-12,16,21H,7-9H2,1-3H3,(H,20,24)(H,22,25,26)
InChIKeyFIGSHMVXWSYUPK-UHFFFAOYSA-N
MW388.42 g/mol
LogP0.70
Rot. Bonds6

About N-[1-[1-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]ethoxy]ethyl]acetamide

N-[1-[1-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]ethoxy]ethyl]acetamide (PubChem CID 142743623) has the molecular formula C19H24N4O5 and a molecular weight of 388.42 g/mol. Its IUPAC name is N-[1-[1-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]ethoxy]ethyl]acetamide.

Molecular Properties

Compound NameN-[1-[1-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]ethoxy]ethyl]acetamide
PubChem CID142743623
Molecular FormulaC19H24N4O5
Molecular Weight388.42 g/mol
Exact Mass388.17
IUPAC NameN-[1-[1-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]ethoxy]ethyl]acetamide
SMILESCC(=O)NC(C)OC(C)Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C19H24N4O5/c1-10(24)20-11(2)28-12(3)21-15-6-4-5-13-14(15)9-23(19(13)27)16-7-8-17(25)22-18(16)26/h4-6,11-12,16,21H,7-9H2,1-3H3,(H,20,24)(H,22,25,26)
InChIKeyFIGSHMVXWSYUPK-UHFFFAOYSA-N
XLogP0.70
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze N-[1-[1-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]ethoxy]ethyl]acetamide with MolForge

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Related Compounds

3-[3-oxo-7-(1-sulfanylethylamino)-1H-isoindol-2-yl]piperidine-2,6-dione
CID 138627200
tert-butyl N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]carbamate
CID 130441784
2-[[2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-4-yl]oxy]propanoic acid
CID 175590151
2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]hexanamide
CID 162700348
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-hydroxyacetamide
CID 155292309
2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-N-methylacetamide
CID 171491512
(E)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]but-2-enamide
CID 167989554
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]hexanamide
CID 134164434
[3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]cyclohexyl]carbamic acid
CID 174190318
3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-4-carbonyl]amino]butanoic acid
CID 166426077
3-[7-[(iodoamino)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 162724516
2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]sulfanyl]acetamide
CID 154689467

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]ethoxy]ethyl]acetamide?
The IUPAC name of N-[1-[1-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]ethoxy]ethyl]acetamide (CID 142743623) is N-[1-[1-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]ethoxy]ethyl]acetamide.
What is the SMILES notation for N-[1-[1-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]ethoxy]ethyl]acetamide?
The canonical SMILES for N-[1-[1-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]ethoxy]ethyl]acetamide is CC(=O)NC(C)OC(C)Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of N-[1-[1-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]ethoxy]ethyl]acetamide?
The InChIKey is FIGSHMVXWSYUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O5/c1-10(24)20-11(2)28-12(3)21-15-6-4-5-13-14(15)9-23(19(13)27)16-7-8-17(25)22-18(16)26/h4-6,11-12,16,21H,7-9H2,1-3H3,(H,20,24)(H,22,25,26).
What are the key properties of N-[1-[1-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]ethoxy]ethyl]acetamide?
N-[1-[1-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]ethoxy]ethyl]acetamide has a molecular weight of 388.42 g/mol, XLogP of 0.70, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]ethoxy]ethyl]acetamide is sourced from PubChem (CID 142743623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).