tert-butyl N-[(2R)-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]propyl]carbamate

C21H26N4O6 — CID 142367921

IUPACtert-butyl N-[(2R)-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]propyl]carbamate
SMILESC[C@H](CNC(=O)OC(C)(C)C)Nc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C21H26N4O6/c1-11(10-22-20(30)31-21(2,3)4)23-12-5-6-13-14(9-12)19(29)25(18(13)28)15-7-8-16(26)24-17(15)27/h5-6,9,11,15,23H,7-8,10H2,1-4H3,(H,22,30)(H,24,26,27)/t11-,15?/m1/s1
InChIKeyKTLZRXUPBPIEDE-ZRKZCGFPSA-N
MW430.46 g/mol
LogP1.41
Rot. Bonds5

About tert-butyl N-[(2R)-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]propyl]carbamate

tert-butyl N-[(2R)-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]propyl]carbamate (PubChem CID 142367921) has the molecular formula C21H26N4O6 and a molecular weight of 430.46 g/mol. Its IUPAC name is tert-butyl N-[(2R)-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]propyl]carbamate
PubChem CID142367921
Molecular FormulaC21H26N4O6
Molecular Weight430.46 g/mol
Exact Mass430.19
IUPAC Nametert-butyl N-[(2R)-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]propyl]carbamate
SMILESC[C@H](CNC(=O)OC(C)(C)C)Nc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C21H26N4O6/c1-11(10-22-20(30)31-21(2,3)4)23-12-5-6-13-14(9-12)19(29)25(18(13)28)15-7-8-16(26)24-17(15)27/h5-6,9,11,15,23H,7-8,10H2,1-4H3,(H,22,30)(H,24,26,27)/t11-,15?/m1/s1
InChIKeyKTLZRXUPBPIEDE-ZRKZCGFPSA-N
XLogP1.41
TPSA133.91 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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
tert-butyl (3S)-3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethylamino]-2-oxoethyl]pyrrolidine-1-carboxylate
CID 176695825
2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]propanamide
CID 175271647
tert-butyl N-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]hex-5-enyl]carbamate
CID 166993656
[3-[5-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxyamino]-1,3-dioxoisoindol-2-yl]-6-oxopiperidin-2-ylidene]azanide
CID 163620929
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 6-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethyl]-2-azaspiro[3.3]heptane-2-carboxylate
CID 156506452
methyl 9-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]nonanoate
CID 163374317
2-(2,6-dioxopiperidin-3-yl)-5-(methylamino)isoindole-1,3-dione;ethane
CID 166535785
tert-butyl 4-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]piperazine-1-carboxylate
CID 154659236
N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]butanamide
CID 163906697
2-(2,6-dioxopiperidin-3-yl)-5-[2-(2-propoxyethoxy)ethylamino]isoindole-1,3-dione
CID 155177661

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]propyl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]propyl]carbamate (CID 142367921) is tert-butyl N-[(2R)-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]propyl]carbamate is C[C@H](CNC(=O)OC(C)(C)C)Nc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of tert-butyl N-[(2R)-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]propyl]carbamate?
The InChIKey is KTLZRXUPBPIEDE-ZRKZCGFPSA-N. The full InChI is InChI=1S/C21H26N4O6/c1-11(10-22-20(30)31-21(2,3)4)23-12-5-6-13-14(9-12)19(29)25(18(13)28)15-7-8-16(26)24-17(15)27/h5-6,9,11,15,23H,7-8,10H2,1-4H3,(H,22,30)(H,24,26,27)/t11-,15?/m1/s1.
What are the key properties of tert-butyl N-[(2R)-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]propyl]carbamate?
tert-butyl N-[(2R)-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]propyl]carbamate has a molecular weight of 430.46 g/mol, XLogP of 1.41, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]propyl]carbamate is sourced from PubChem (CID 142367921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).