tert-butyl N-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]carbamate

C20H24N4O6 — CID 121448557

IUPACtert-butyl N-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C20H24N4O6/c1-20(2,3)30-19(29)22-10-9-21-12-6-4-5-11-15(12)18(28)24(17(11)27)13-7-8-14(25)23-16(13)26/h4-6,13,21H,7-10H2,1-3H3,(H,22,29)(H,23,25,26)
InChIKeyCTBFCHXDKXTELK-UHFFFAOYSA-N
MW416.43 g/mol
LogP1.02
Rot. Bonds5

About tert-butyl N-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]carbamate

tert-butyl N-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]carbamate (PubChem CID 121448557) has the molecular formula C20H24N4O6 and a molecular weight of 416.43 g/mol. Its IUPAC name is tert-butyl N-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]carbamate
PubChem CID121448557
Molecular FormulaC20H24N4O6
Molecular Weight416.43 g/mol
Exact Mass416.17
IUPAC Nametert-butyl N-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C20H24N4O6/c1-20(2,3)30-19(29)22-10-9-21-12-6-4-5-11-15(12)18(28)24(17(11)27)13-7-8-14(25)23-16(13)26/h4-6,13,21H,7-10H2,1-3H3,(H,22,29)(H,23,25,26)
InChIKeyCTBFCHXDKXTELK-UHFFFAOYSA-N
XLogP1.02
TPSA133.91 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.43
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]carbamate (CID 121448557) is tert-butyl N-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]carbamate is CC(C)(C)OC(=O)NCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of tert-butyl N-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]carbamate?
The InChIKey is CTBFCHXDKXTELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O6/c1-20(2,3)30-19(29)22-10-9-21-12-6-4-5-11-15(12)18(28)24(17(11)27)13-7-8-14(25)23-16(13)26/h4-6,13,21H,7-10H2,1-3H3,(H,22,29)(H,23,25,26).
What are the key properties of tert-butyl N-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]carbamate?
tert-butyl N-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]carbamate has a molecular weight of 416.43 g/mol, XLogP of 1.02, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]carbamate is sourced from PubChem (CID 121448557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).