3-[2-(4-aminobutylamino)-2-oxoethoxy]-N-(2,6-dioxopiperidin-3-yl)-2-formylbenzamide

C19H24N4O6 — CID 121448796

IUPAC3-[2-(4-aminobutylamino)-2-oxoethoxy]-N-(2,6-dioxopiperidin-3-yl)-2-formylbenzamide
SMILESNCCCCNC(=O)COc1cccc(C(=O)NC2CCC(=O)NC2=O)c1C=O
InChIInChI=1S/C19H24N4O6/c20-8-1-2-9-21-17(26)11-29-15-5-3-4-12(13(15)10-24)18(27)22-14-6-7-16(25)23-19(14)28/h3-5,10,14H,1-2,6-9,11,20H2,(H,21,26)(H,22,27)(H,23,25,28)
InChIKeyLRKAKCJAIPUTCG-UHFFFAOYSA-N
MW404.42 g/mol
LogP-0.73
Rot. Bonds10

About 3-[2-(4-aminobutylamino)-2-oxoethoxy]-N-(2,6-dioxopiperidin-3-yl)-2-formylbenzamide

3-[2-(4-aminobutylamino)-2-oxoethoxy]-N-(2,6-dioxopiperidin-3-yl)-2-formylbenzamide (PubChem CID 121448796) has the molecular formula C19H24N4O6 and a molecular weight of 404.42 g/mol. Its IUPAC name is 3-[2-(4-aminobutylamino)-2-oxoethoxy]-N-(2,6-dioxopiperidin-3-yl)-2-formylbenzamide.

Molecular Properties

Compound Name3-[2-(4-aminobutylamino)-2-oxoethoxy]-N-(2,6-dioxopiperidin-3-yl)-2-formylbenzamide
PubChem CID121448796
Molecular FormulaC19H24N4O6
Molecular Weight404.42 g/mol
Exact Mass404.17
IUPAC Name3-[2-(4-aminobutylamino)-2-oxoethoxy]-N-(2,6-dioxopiperidin-3-yl)-2-formylbenzamide
SMILESNCCCCNC(=O)COc1cccc(C(=O)NC2CCC(=O)NC2=O)c1C=O
InChIInChI=1S/C19H24N4O6/c20-8-1-2-9-21-17(26)11-29-15-5-3-4-12(13(15)10-24)18(27)22-14-6-7-16(25)23-19(14)28/h3-5,10,14H,1-2,6-9,11,20H2,(H,21,26)(H,22,27)(H,23,25,28)
InChIKeyLRKAKCJAIPUTCG-UHFFFAOYSA-N
XLogP-0.73
TPSA156.69 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 5-0.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(4-aminobutylamino)-2-oxoethoxy]-N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methylbenzamide
CID 145229590
N-(4-aminobutyl)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]acetamide
CID 121439768
N-(11-aminoundecyl)-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide
CID 166910064
5-(5-aminopentylamino)-N-(2,6-dioxopiperidin-3-yl)-2-formylbenzamide
CID 162486117
N-(10-aminodecyl)-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;hydrochloride
CID 154612216
N-[(3S)-2,6-dioxopiperidin-3-yl]-2-methoxybenzamide
CID 175838749
N-[(3R)-2,6-dioxopiperidin-3-yl]-2-methoxybenzamide
CID 165380137
N-(4-aminobutyl)-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;2,2,2-trifluoroacetic acid
CID 121410950
N-(5-aminopentyl)-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;2,2,2-trifluoroacetic acid
CID 155982402
N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methyl-3-[2-(oct-7-ynylamino)-2-oxoethoxy]benzamide
CID 168946490
N-(8-aminooctyl)-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;2,2,2-trifluoroacetic acid
CID 121411067
N-(2,6-dioxopiperidin-3-yl)-3-[2-[3-[[(2-methoxyacetyl)amino]methyl]anilino]-2-oxoethoxy]-2-methylbenzamide
CID 156542321

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-aminobutylamino)-2-oxoethoxy]-N-(2,6-dioxopiperidin-3-yl)-2-formylbenzamide?
The IUPAC name of 3-[2-(4-aminobutylamino)-2-oxoethoxy]-N-(2,6-dioxopiperidin-3-yl)-2-formylbenzamide (CID 121448796) is 3-[2-(4-aminobutylamino)-2-oxoethoxy]-N-(2,6-dioxopiperidin-3-yl)-2-formylbenzamide.
What is the SMILES notation for 3-[2-(4-aminobutylamino)-2-oxoethoxy]-N-(2,6-dioxopiperidin-3-yl)-2-formylbenzamide?
The canonical SMILES for 3-[2-(4-aminobutylamino)-2-oxoethoxy]-N-(2,6-dioxopiperidin-3-yl)-2-formylbenzamide is NCCCCNC(=O)COc1cccc(C(=O)NC2CCC(=O)NC2=O)c1C=O.
What is the InChIKey of 3-[2-(4-aminobutylamino)-2-oxoethoxy]-N-(2,6-dioxopiperidin-3-yl)-2-formylbenzamide?
The InChIKey is LRKAKCJAIPUTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O6/c20-8-1-2-9-21-17(26)11-29-15-5-3-4-12(13(15)10-24)18(27)22-14-6-7-16(25)23-19(14)28/h3-5,10,14H,1-2,6-9,11,20H2,(H,21,26)(H,22,27)(H,23,25,28).
What are the key properties of 3-[2-(4-aminobutylamino)-2-oxoethoxy]-N-(2,6-dioxopiperidin-3-yl)-2-formylbenzamide?
3-[2-(4-aminobutylamino)-2-oxoethoxy]-N-(2,6-dioxopiperidin-3-yl)-2-formylbenzamide has a molecular weight of 404.42 g/mol, XLogP of -0.73, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-aminobutylamino)-2-oxoethoxy]-N-(2,6-dioxopiperidin-3-yl)-2-formylbenzamide is sourced from PubChem (CID 121448796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).