[(2R)-2-(1,3-dioxoisoindol-2-yl)-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl] N-tert-butylcarbamate

C24H24N2O6 — CID 174996670

IUPAC[(2R)-2-(1,3-dioxoisoindol-2-yl)-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl] N-tert-butylcarbamate
SMILESCc1c([C@H](COC(=O)NC(C)(C)C)N2C(=O)c3ccccc3C2=O)ccc2c1COC2=O
InChIInChI=1S/C24H24N2O6/c1-13-14(9-10-17-18(13)11-31-22(17)29)19(12-32-23(30)25-24(2,3)4)26-20(27)15-7-5-6-8-16(15)21(26)28/h5-10,19H,11-12H2,1-4H3,(H,25,30)/t19-/m0/s1
InChIKeyZOYYEPAQMRWBAX-IBGZPJMESA-N
MW436.46 g/mol
LogP3.53
Rot. Bonds4

About [(2R)-2-(1,3-dioxoisoindol-2-yl)-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl] N-tert-butylcarbamate

[(2R)-2-(1,3-dioxoisoindol-2-yl)-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl] N-tert-butylcarbamate (PubChem CID 174996670) has the molecular formula C24H24N2O6 and a molecular weight of 436.46 g/mol. Its IUPAC name is [(2R)-2-(1,3-dioxoisoindol-2-yl)-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[(2R)-2-(1,3-dioxoisoindol-2-yl)-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl] N-tert-butylcarbamate
PubChem CID174996670
Molecular FormulaC24H24N2O6
Molecular Weight436.46 g/mol
Exact Mass436.16
IUPAC Name[(2R)-2-(1,3-dioxoisoindol-2-yl)-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl] N-tert-butylcarbamate
SMILESCc1c([C@H](COC(=O)NC(C)(C)C)N2C(=O)c3ccccc3C2=O)ccc2c1COC2=O
InChIInChI=1S/C24H24N2O6/c1-13-14(9-10-17-18(13)11-31-22(17)29)19(12-32-23(30)25-24(2,3)4)26-20(27)15-7-5-6-8-16(15)21(26)28/h5-10,19H,11-12H2,1-4H3,(H,25,30)/t19-/m0/s1
InChIKeyZOYYEPAQMRWBAX-IBGZPJMESA-N
XLogP3.53
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.46
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(1,3-dioxoisoindol-2-yl)-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl] N-tert-butylcarbamate?
The IUPAC name of [(2R)-2-(1,3-dioxoisoindol-2-yl)-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl] N-tert-butylcarbamate (CID 174996670) is [(2R)-2-(1,3-dioxoisoindol-2-yl)-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl] N-tert-butylcarbamate.
What is the SMILES notation for [(2R)-2-(1,3-dioxoisoindol-2-yl)-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl] N-tert-butylcarbamate?
The canonical SMILES for [(2R)-2-(1,3-dioxoisoindol-2-yl)-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl] N-tert-butylcarbamate is Cc1c([C@H](COC(=O)NC(C)(C)C)N2C(=O)c3ccccc3C2=O)ccc2c1COC2=O.
What is the InChIKey of [(2R)-2-(1,3-dioxoisoindol-2-yl)-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl] N-tert-butylcarbamate?
The InChIKey is ZOYYEPAQMRWBAX-IBGZPJMESA-N. The full InChI is InChI=1S/C24H24N2O6/c1-13-14(9-10-17-18(13)11-31-22(17)29)19(12-32-23(30)25-24(2,3)4)26-20(27)15-7-5-6-8-16(15)21(26)28/h5-10,19H,11-12H2,1-4H3,(H,25,30)/t19-/m0/s1.
What are the key properties of [(2R)-2-(1,3-dioxoisoindol-2-yl)-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl] N-tert-butylcarbamate?
[(2R)-2-(1,3-dioxoisoindol-2-yl)-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl] N-tert-butylcarbamate has a molecular weight of 436.46 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(1,3-dioxoisoindol-2-yl)-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl] N-tert-butylcarbamate is sourced from PubChem (CID 174996670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).