tert-butyl N-[1,3-bis(1,3-dioxoisoindol-2-yl)propan-2-yloxy]-N-ethylcarbamate

C26H27N3O7 — CID 88538398

IUPACtert-butyl N-[1,3-bis(1,3-dioxoisoindol-2-yl)propan-2-yloxy]-N-ethylcarbamate
SMILESCCN(OC(CN1C(=O)c2ccccc2C1=O)CN1C(=O)c2ccccc2C1=O)C(=O)OC(C)(C)C
InChIInChI=1S/C26H27N3O7/c1-5-29(25(34)35-26(2,3)4)36-16(14-27-21(30)17-10-6-7-11-18(17)22(27)31)15-28-23(32)19-12-8-9-13-20(19)24(28)33/h6-13,16H,5,14-15H2,1-4H3
InChIKeyNJEWMTQCAACRLS-UHFFFAOYSA-N
MW493.52 g/mol
LogP3.14
Rot. Bonds7

About tert-butyl N-[1,3-bis(1,3-dioxoisoindol-2-yl)propan-2-yloxy]-N-ethylcarbamate

tert-butyl N-[1,3-bis(1,3-dioxoisoindol-2-yl)propan-2-yloxy]-N-ethylcarbamate (PubChem CID 88538398) has the molecular formula C26H27N3O7 and a molecular weight of 493.52 g/mol. Its IUPAC name is tert-butyl N-[1,3-bis(1,3-dioxoisoindol-2-yl)propan-2-yloxy]-N-ethylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[1,3-bis(1,3-dioxoisoindol-2-yl)propan-2-yloxy]-N-ethylcarbamate
PubChem CID88538398
Molecular FormulaC26H27N3O7
Molecular Weight493.52 g/mol
Exact Mass493.18
IUPAC Nametert-butyl N-[1,3-bis(1,3-dioxoisoindol-2-yl)propan-2-yloxy]-N-ethylcarbamate
SMILESCCN(OC(CN1C(=O)c2ccccc2C1=O)CN1C(=O)c2ccccc2C1=O)C(=O)OC(C)(C)C
InChIInChI=1S/C26H27N3O7/c1-5-29(25(34)35-26(2,3)4)36-16(14-27-21(30)17-10-6-7-11-18(17)22(27)31)15-28-23(32)19-12-8-9-13-20(19)24(28)33/h6-13,16H,5,14-15H2,1-4H3
InChIKeyNJEWMTQCAACRLS-UHFFFAOYSA-N
XLogP3.14
TPSA113.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.52
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N,N'-Trimethylenediphthalimide
CID 248109
Hexamethylenebis(dimethyl-(3-phthalimidopropyl)ammonium bromide)
CID 167961
3-(1,3-Dioxoisoindol-2-yl)propyl-[6-[3-(1,3-dioxoisoindol-2-yl)propyl-dimethylazaniumyl]hexyl]-dimethylazanium
CID 167962
2,2'-(Oxybis(ethane-2,1-diyl))bis(isoindoline-1,3-dione)
CID 247817
1,3-Diphthalimido-2-propanol
CID 97130
1,4-Diphthalimido-2-butyne
CID 232728
N,N'-(Ethylenedioxy)diphthalimide
CID 2249224
Heptane-1,7-bis(dimethyl-3'-phthalimidopropylammonium)
CID 168057
Dimethyl-W84
CID 10350027
2-[4-(2,6-dimethyl-4-morpholinyl)-4-oxobutyl]-1H-isoindole-1,3(2H)-dione
CID 18108378
2-[7-Oxo-7-(3-phenyl-1-pyrrolidinyl)heptyl]isoindole-1,3-dione
CID 3148600
Ethyl 4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-YL)piperidine-1-carboxylate
CID 5309241

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1,3-bis(1,3-dioxoisoindol-2-yl)propan-2-yloxy]-N-ethylcarbamate?
The IUPAC name of tert-butyl N-[1,3-bis(1,3-dioxoisoindol-2-yl)propan-2-yloxy]-N-ethylcarbamate (CID 88538398) is tert-butyl N-[1,3-bis(1,3-dioxoisoindol-2-yl)propan-2-yloxy]-N-ethylcarbamate.
What is the SMILES notation for tert-butyl N-[1,3-bis(1,3-dioxoisoindol-2-yl)propan-2-yloxy]-N-ethylcarbamate?
The canonical SMILES for tert-butyl N-[1,3-bis(1,3-dioxoisoindol-2-yl)propan-2-yloxy]-N-ethylcarbamate is CCN(OC(CN1C(=O)c2ccccc2C1=O)CN1C(=O)c2ccccc2C1=O)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1,3-bis(1,3-dioxoisoindol-2-yl)propan-2-yloxy]-N-ethylcarbamate?
The InChIKey is NJEWMTQCAACRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O7/c1-5-29(25(34)35-26(2,3)4)36-16(14-27-21(30)17-10-6-7-11-18(17)22(27)31)15-28-23(32)19-12-8-9-13-20(19)24(28)33/h6-13,16H,5,14-15H2,1-4H3.
What are the key properties of tert-butyl N-[1,3-bis(1,3-dioxoisoindol-2-yl)propan-2-yloxy]-N-ethylcarbamate?
tert-butyl N-[1,3-bis(1,3-dioxoisoindol-2-yl)propan-2-yloxy]-N-ethylcarbamate has a molecular weight of 493.52 g/mol, XLogP of 3.14, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1,3-bis(1,3-dioxoisoindol-2-yl)propan-2-yloxy]-N-ethylcarbamate is sourced from PubChem (CID 88538398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).