tert-butyl carbamate;2-(2,3-dihydro-1H-inden-2-yl)isoindole-1,3-dione;ethane

C24H30N2O4 — CID 143006218

IUPACtert-butyl carbamate;2-(2,3-dihydro-1H-inden-2-yl)isoindole-1,3-dione;ethane
SMILESCC.CC(C)(C)OC(N)=O.O=C1c2ccccc2C(=O)N1C1Cc2ccccc2C1
InChIInChI=1S/C17H13NO2.C5H11NO2.C2H6/c19-16-14-7-3-4-8-15(14)17(20)18(16)13-9-11-5-1-2-6-12(11)10-13;1-5(2,3)8-4(6)7;1-2/h1-8,13H,9-10H2;1-3H3,(H2,6,7);1-2H3
InChIKeyQEQIKVHOOGJFTF-UHFFFAOYSA-N
MW410.51 g/mol
LogP4.36
Rot. Bonds1

About tert-butyl carbamate;2-(2,3-dihydro-1H-inden-2-yl)isoindole-1,3-dione;ethane

tert-butyl carbamate;2-(2,3-dihydro-1H-inden-2-yl)isoindole-1,3-dione;ethane (PubChem CID 143006218) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is tert-butyl carbamate;2-(2,3-dihydro-1H-inden-2-yl)isoindole-1,3-dione;ethane.

Molecular Properties

Compound Nametert-butyl carbamate;2-(2,3-dihydro-1H-inden-2-yl)isoindole-1,3-dione;ethane
PubChem CID143006218
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC Nametert-butyl carbamate;2-(2,3-dihydro-1H-inden-2-yl)isoindole-1,3-dione;ethane
SMILESCC.CC(C)(C)OC(N)=O.O=C1c2ccccc2C(=O)N1C1Cc2ccccc2C1
InChIInChI=1S/C17H13NO2.C5H11NO2.C2H6/c19-16-14-7-3-4-8-15(14)17(20)18(16)13-9-11-5-1-2-6-12(11)10-13;1-5(2,3)8-4(6)7;1-2/h1-8,13H,9-10H2;1-3H3,(H2,6,7);1-2H3
InChIKeyQEQIKVHOOGJFTF-UHFFFAOYSA-N
XLogP4.36
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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tert-butyl (3R,5R)-3-(1,3-dioxoisoindol-2-yl)-5-hydroxypiperidine-1-carboxylate
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CID 174064131
CID 174064131
tert-butyl N-[(2R)-2-(1,3-dioxoisoindol-2-yl)cyclohexyl]carbamate
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2-(2,3-dihydro-1H-inden-2-yl)-4-hydroxy-5-methoxyisoindole-1,3-dione
CID 143767889
tert-butyl carbamate;1-methyl-4-phenylbenzene
CID 174572065
ethane;2-(1-methylpiperidin-4-yl)isoindole-1,3-dione
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tert-butyl (3S)-3-[(1,3-dioxoisoindol-2-yl)methyl]-2-azabicyclo[2.2.2]octane-2-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl carbamate;2-(2,3-dihydro-1H-inden-2-yl)isoindole-1,3-dione;ethane?
The IUPAC name of tert-butyl carbamate;2-(2,3-dihydro-1H-inden-2-yl)isoindole-1,3-dione;ethane (CID 143006218) is tert-butyl carbamate;2-(2,3-dihydro-1H-inden-2-yl)isoindole-1,3-dione;ethane.
What is the SMILES notation for tert-butyl carbamate;2-(2,3-dihydro-1H-inden-2-yl)isoindole-1,3-dione;ethane?
The canonical SMILES for tert-butyl carbamate;2-(2,3-dihydro-1H-inden-2-yl)isoindole-1,3-dione;ethane is CC.CC(C)(C)OC(N)=O.O=C1c2ccccc2C(=O)N1C1Cc2ccccc2C1.
What is the InChIKey of tert-butyl carbamate;2-(2,3-dihydro-1H-inden-2-yl)isoindole-1,3-dione;ethane?
The InChIKey is QEQIKVHOOGJFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO2.C5H11NO2.C2H6/c19-16-14-7-3-4-8-15(14)17(20)18(16)13-9-11-5-1-2-6-12(11)10-13;1-5(2,3)8-4(6)7;1-2/h1-8,13H,9-10H2;1-3H3,(H2,6,7);1-2H3.
What are the key properties of tert-butyl carbamate;2-(2,3-dihydro-1H-inden-2-yl)isoindole-1,3-dione;ethane?
tert-butyl carbamate;2-(2,3-dihydro-1H-inden-2-yl)isoindole-1,3-dione;ethane has a molecular weight of 410.51 g/mol, XLogP of 4.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl carbamate;2-(2,3-dihydro-1H-inden-2-yl)isoindole-1,3-dione;ethane is sourced from PubChem (CID 143006218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).