tert-butyl N-[3-[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-4-yl]propyl]carbamate

C24H27N3O5 — CID 177280181

IUPACtert-butyl N-[3-[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-4-yl]propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCc1cc2c3c(cccc3c1)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C24H27N3O5/c1-24(2,3)32-23(31)25-11-5-6-14-12-15-7-4-8-17-20(15)16(13-14)22(30)27(17)18-9-10-19(28)26-21(18)29/h4,7-8,12-13,18H,5-6,9-11H2,1-3H3,(H,25,31)(H,26,28,29)
InChIKeyJLDMNPFRLKRRTK-UHFFFAOYSA-N
MW437.50 g/mol
LogP3.06
Rot. Bonds5

About tert-butyl N-[3-[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-4-yl]propyl]carbamate

tert-butyl N-[3-[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-4-yl]propyl]carbamate (PubChem CID 177280181) has the molecular formula C24H27N3O5 and a molecular weight of 437.50 g/mol. Its IUPAC name is tert-butyl N-[3-[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-4-yl]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-4-yl]propyl]carbamate
PubChem CID177280181
Molecular FormulaC24H27N3O5
Molecular Weight437.50 g/mol
Exact Mass437.20
IUPAC Nametert-butyl N-[3-[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-4-yl]propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCc1cc2c3c(cccc3c1)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C24H27N3O5/c1-24(2,3)32-23(31)25-11-5-6-14-12-15-7-4-8-17-20(15)16(13-14)22(30)27(17)18-9-10-19(28)26-21(18)29/h4,7-8,12-13,18H,5-6,9-11H2,1-3H3,(H,25,31)(H,26,28,29)
InChIKeyJLDMNPFRLKRRTK-UHFFFAOYSA-N
XLogP3.06
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

tert-butyl N-[(E)-3-[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-4-yl]prop-2-enyl]carbamate
CID 177280230
tert-butyl N-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propyl]carbamate
CID 138467204
3-[2-oxo-4-[[4-(trifluoromethyl)phenyl]methyl]benzo[cd]indol-1-yl]piperidine-2,6-dione
CID 163259374
tert-butyl N-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]butyl]carbamate
CID 131999803
tert-butyl N-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]ethyl]carbamate
CID 170733148
3-(4-methylsulfonyl-2-oxobenzo[cd]indol-1-yl)piperidine-2,6-dione
CID 167009203
tert-butyl N-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]hex-5-enyl]carbamate
CID 166993656
tert-butyl N-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]pentyl]carbamate
CID 176938730
tert-butyl N-[6-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentanoylamino]hexyl]carbamate
CID 163320884
N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propyl]-2,2-dimethylbut-3-ynamide
CID 166425439
4-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl N-[3-[2-[2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxy]ethoxy]ethoxy]propyl]carbamate
CID 163966525
tert-butyl N-[4-[[2-[[2-[(3S)-2,7-dioxoazepan-3-yl]-1,3-dioxoisoindol-4-yl]amino]-2-oxoethyl]amino]butyl]carbamate
CID 140857053

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-4-yl]propyl]carbamate?
The IUPAC name of tert-butyl N-[3-[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-4-yl]propyl]carbamate (CID 177280181) is tert-butyl N-[3-[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-4-yl]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-4-yl]propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-4-yl]propyl]carbamate is CC(C)(C)OC(=O)NCCCc1cc2c3c(cccc3c1)N(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of tert-butyl N-[3-[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-4-yl]propyl]carbamate?
The InChIKey is JLDMNPFRLKRRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O5/c1-24(2,3)32-23(31)25-11-5-6-14-12-15-7-4-8-17-20(15)16(13-14)22(30)27(17)18-9-10-19(28)26-21(18)29/h4,7-8,12-13,18H,5-6,9-11H2,1-3H3,(H,25,31)(H,26,28,29).
What are the key properties of tert-butyl N-[3-[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-4-yl]propyl]carbamate?
tert-butyl N-[3-[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-4-yl]propyl]carbamate has a molecular weight of 437.50 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-4-yl]propyl]carbamate is sourced from PubChem (CID 177280181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).