N-(4-aminobutyl)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]acetamide

C19H24N4O5 — CID 121439768

IUPACN-(4-aminobutyl)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]acetamide
SMILESNCCCCNC(=O)COc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C19H24N4O5/c20-8-1-2-9-21-17(25)11-28-15-5-3-4-12-13(15)10-23(19(12)27)14-6-7-16(24)22-18(14)26/h3-5,14H,1-2,6-11,20H2,(H,21,25)(H,22,24,26)
InChIKeyPWLXYMRFYVONRW-UHFFFAOYSA-N
MW388.42 g/mol
LogP-0.32
Rot. Bonds8

About N-(4-aminobutyl)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]acetamide

N-(4-aminobutyl)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]acetamide (PubChem CID 121439768) has the molecular formula C19H24N4O5 and a molecular weight of 388.42 g/mol. Its IUPAC name is N-(4-aminobutyl)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]acetamide.

Molecular Properties

Compound NameN-(4-aminobutyl)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]acetamide
PubChem CID121439768
Molecular FormulaC19H24N4O5
Molecular Weight388.42 g/mol
Exact Mass388.17
IUPAC NameN-(4-aminobutyl)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]acetamide
SMILESNCCCCNC(=O)COc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C19H24N4O5/c20-8-1-2-9-21-17(25)11-28-15-5-3-4-12-13(15)10-23(19(12)27)14-6-7-16(24)22-18(14)26/h3-5,14H,1-2,6-11,20H2,(H,21,25)(H,22,24,26)
InChIKeyPWLXYMRFYVONRW-UHFFFAOYSA-N
XLogP-0.32
TPSA130.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

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Related Compounds

N-(6-aminohexyl)-2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]phenoxy]acetamide
CID 167060398
3-[2-[2-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]acetyl]amino]ethoxy]ethoxy]propanoic acid
CID 167471038
N-(11-aminoundecyl)-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide
CID 166910064
N-(10-aminodecyl)-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;hydrochloride
CID 154612216
2-(4-amino-2,6-dimethoxyphenoxy)-N-(3-aminopropyl)acetamide;3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 154688372
N-(4-aminobutyl)-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;2,2,2-trifluoroacetic acid
CID 121410950
N-(8-aminooctyl)-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;2,2,2-trifluoroacetic acid
CID 121411067
N-(5-aminopentyl)-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;2,2,2-trifluoroacetic acid
CID 155982402
3-[7-(5-hydroxypentoxy)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 165166586
3-[7-[7-(cyclohexylamino)heptoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156788820
3-[7-(4-imino-2-oxopentoxy)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 123392251
3-[3-oxo-7-(2-phenylethoxy)-1H-isoindol-2-yl]piperidine-2,6-dione
CID 25015584

Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutyl)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]acetamide?
The IUPAC name of N-(4-aminobutyl)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]acetamide (CID 121439768) is N-(4-aminobutyl)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]acetamide.
What is the SMILES notation for N-(4-aminobutyl)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]acetamide?
The canonical SMILES for N-(4-aminobutyl)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]acetamide is NCCCCNC(=O)COc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of N-(4-aminobutyl)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]acetamide?
The InChIKey is PWLXYMRFYVONRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O5/c20-8-1-2-9-21-17(25)11-28-15-5-3-4-12-13(15)10-23(19(12)27)14-6-7-16(24)22-18(14)26/h3-5,14H,1-2,6-11,20H2,(H,21,25)(H,22,24,26).
What are the key properties of N-(4-aminobutyl)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]acetamide?
N-(4-aminobutyl)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]acetamide has a molecular weight of 388.42 g/mol, XLogP of -0.32, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutyl)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]acetamide is sourced from PubChem (CID 121439768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).