N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methyl-3-[2-(oct-7-ynylamino)-2-oxoethoxy]benzamide

C24H29N3O6 — CID 168946490

IUPACN-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methyl-3-[2-(oct-7-ynylamino)-2-oxoethoxy]benzamide
SMILESC#CCCCCCCNC(=O)COc1cccc(C(=O)N(C=O)C2CCC(=O)NC2=O)c1C
InChIInChI=1S/C24H29N3O6/c1-3-4-5-6-7-8-14-25-22(30)15-33-20-11-9-10-18(17(20)2)24(32)27(16-28)19-12-13-21(29)26-23(19)31/h1,9-11,16,19H,4-8,12-15H2,2H3,(H,25,30)(H,26,29,31)
InChIKeyFJNQPINDJFVEQW-UHFFFAOYSA-N
MW455.51 g/mol
LogP1.48
Rot. Bonds12

About N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methyl-3-[2-(oct-7-ynylamino)-2-oxoethoxy]benzamide

N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methyl-3-[2-(oct-7-ynylamino)-2-oxoethoxy]benzamide (PubChem CID 168946490) has the molecular formula C24H29N3O6 and a molecular weight of 455.51 g/mol. Its IUPAC name is N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methyl-3-[2-(oct-7-ynylamino)-2-oxoethoxy]benzamide.

Molecular Properties

Compound NameN-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methyl-3-[2-(oct-7-ynylamino)-2-oxoethoxy]benzamide
PubChem CID168946490
Molecular FormulaC24H29N3O6
Molecular Weight455.51 g/mol
Exact Mass455.21
IUPAC NameN-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methyl-3-[2-(oct-7-ynylamino)-2-oxoethoxy]benzamide
SMILESC#CCCCCCCNC(=O)COc1cccc(C(=O)N(C=O)C2CCC(=O)NC2=O)c1C
InChIInChI=1S/C24H29N3O6/c1-3-4-5-6-7-8-14-25-22(30)15-33-20-11-9-10-18(17(20)2)24(32)27(16-28)19-12-13-21(29)26-23(19)31/h1,9-11,16,19H,4-8,12-15H2,2H3,(H,25,30)(H,26,29,31)
InChIKeyFJNQPINDJFVEQW-UHFFFAOYSA-N
XLogP1.48
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.51
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'}, {'alert_name': 'triple_bond', '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-(2,6-dioxopiperidin-3-yl)-N-formyl-2,3-dimethylbenzamide;ethane
CID 163374446
N-(2,6-dioxopiperidin-3-yl)-3-fluoro-N-formyl-2-methylbenzamide
CID 154690274
N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methyl-6-(2-oxoethoxy)benzamide
CID 145256134
N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methyl-3-[[4-[[4-(trifluoromethylsulfanyl)piperazin-1-yl]methyl]phenyl]methoxy]benzamide
CID 130312159
3-[2-(4-aminobutylamino)-2-oxoethoxy]-N-(2,6-dioxopiperidin-3-yl)-2-formylbenzamide
CID 121448796
3-[[(2E,4E)-6-amino-2,5-dimethylhexa-2,4-dienyl]amino]-N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methylbenzamide
CID 170384418
N-(2,6-dioxopiperidin-3-yl)-N-formyl-2,4-dimethylbenzamide;ethane
CID 170953386
tert-butyl N-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]butyl]carbamate
CID 131999803
6-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]-N-methylhexanamide
CID 155279746
2-[3-[2-(2-aminoethoxy)ethoxy]propyl]-N-(2,6-dioxopiperidin-3-yl)-N-formyl-6-methylbenzamide
CID 145381944
N-(11-aminoundecyl)-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide
CID 166910064

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methyl-3-[2-(oct-7-ynylamino)-2-oxoethoxy]benzamide?
The IUPAC name of N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methyl-3-[2-(oct-7-ynylamino)-2-oxoethoxy]benzamide (CID 168946490) is N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methyl-3-[2-(oct-7-ynylamino)-2-oxoethoxy]benzamide.
What is the SMILES notation for N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methyl-3-[2-(oct-7-ynylamino)-2-oxoethoxy]benzamide?
The canonical SMILES for N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methyl-3-[2-(oct-7-ynylamino)-2-oxoethoxy]benzamide is C#CCCCCCCNC(=O)COc1cccc(C(=O)N(C=O)C2CCC(=O)NC2=O)c1C.
What is the InChIKey of N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methyl-3-[2-(oct-7-ynylamino)-2-oxoethoxy]benzamide?
The InChIKey is FJNQPINDJFVEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O6/c1-3-4-5-6-7-8-14-25-22(30)15-33-20-11-9-10-18(17(20)2)24(32)27(16-28)19-12-13-21(29)26-23(19)31/h1,9-11,16,19H,4-8,12-15H2,2H3,(H,25,30)(H,26,29,31).
What are the key properties of N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methyl-3-[2-(oct-7-ynylamino)-2-oxoethoxy]benzamide?
N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methyl-3-[2-(oct-7-ynylamino)-2-oxoethoxy]benzamide has a molecular weight of 455.51 g/mol, XLogP of 1.48, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methyl-3-[2-(oct-7-ynylamino)-2-oxoethoxy]benzamide is sourced from PubChem (CID 168946490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).