tert-butyl N-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]hex-5-enyl]carbamate

C24H29N3O6 — CID 166993656

IUPACtert-butyl N-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]hex-5-enyl]carbamate
SMILESC=C(CCCCNC(=O)OC(C)(C)C)c1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C24H29N3O6/c1-14(7-5-6-12-25-23(32)33-24(2,3)4)15-8-9-16-17(13-15)22(31)27(21(16)30)18-10-11-19(28)26-20(18)29/h8-9,13,18H,1,5-7,10-12H2,2-4H3,(H,25,32)(H,26,28,29)
InChIKeyBOLPZADSPSERCX-UHFFFAOYSA-N
MW455.51 g/mol
LogP2.80
Rot. Bonds7

About tert-butyl N-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]hex-5-enyl]carbamate

tert-butyl N-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]hex-5-enyl]carbamate (PubChem CID 166993656) has the molecular formula C24H29N3O6 and a molecular weight of 455.51 g/mol. Its IUPAC name is tert-butyl N-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]hex-5-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]hex-5-enyl]carbamate
PubChem CID166993656
Molecular FormulaC24H29N3O6
Molecular Weight455.51 g/mol
Exact Mass455.21
IUPAC Nametert-butyl N-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]hex-5-enyl]carbamate
SMILESC=C(CCCCNC(=O)OC(C)(C)C)c1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C24H29N3O6/c1-14(7-5-6-12-25-23(32)33-24(2,3)4)15-8-9-16-17(13-15)22(31)27(21(16)30)18-10-11-19(28)26-20(18)29/h8-9,13,18H,1,5-7,10-12H2,2-4H3,(H,25,32)(H,26,28,29)
InChIKeyBOLPZADSPSERCX-UHFFFAOYSA-N
XLogP2.80
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.51
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl N-[2-[2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 163594503
tert-butyl N-[(2R)-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]propyl]carbamate
CID 142367921
tert-butyl N-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 154659290
2-(2,6-dioxopiperidin-3-yl)-N-(2-methylprop-2-enyl)-1,3-dioxoisoindole-5-carboxamide
CID 166426897
tert-butyl N-[6-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentanoylamino]hexyl]carbamate
CID 163320884
tert-butyl N-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propyl]carbamate
CID 138467204
N-(3-aminopropyl)-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carboxamide;hydrochloride
CID 166000888
tert-butyl N-[7-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carbonyl]amino]heptyl]carbamate
CID 175891825
methyl 9-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]nonanoate
CID 163374317
tert-butyl N-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]butyl]carbamate
CID 131999803
7-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]heptanamide
CID 175446333
4-tert-butyl-N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]benzamide
CID 24788307

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]hex-5-enyl]carbamate?
The IUPAC name of tert-butyl N-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]hex-5-enyl]carbamate (CID 166993656) is tert-butyl N-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]hex-5-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]hex-5-enyl]carbamate?
The canonical SMILES for tert-butyl N-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]hex-5-enyl]carbamate is C=C(CCCCNC(=O)OC(C)(C)C)c1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of tert-butyl N-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]hex-5-enyl]carbamate?
The InChIKey is BOLPZADSPSERCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O6/c1-14(7-5-6-12-25-23(32)33-24(2,3)4)15-8-9-16-17(13-15)22(31)27(21(16)30)18-10-11-19(28)26-20(18)29/h8-9,13,18H,1,5-7,10-12H2,2-4H3,(H,25,32)(H,26,28,29).
What are the key properties of tert-butyl N-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]hex-5-enyl]carbamate?
tert-butyl N-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]hex-5-enyl]carbamate has a molecular weight of 455.51 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]hex-5-enyl]carbamate is sourced from PubChem (CID 166993656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).