tert-butyl N-[2-(1,3-dioxoisoindol-2-yl)oxyethyl]-N-methylcarbamate

C16H20N2O5 — CID 59846673

IUPACtert-butyl N-[2-(1,3-dioxoisoindol-2-yl)oxyethyl]-N-methylcarbamate
SMILESCN(CCON1C(=O)c2ccccc2C1=O)C(=O)OC(C)(C)C
InChIInChI=1S/C16H20N2O5/c1-16(2,3)23-15(21)17(4)9-10-22-18-13(19)11-7-5-6-8-12(11)14(18)20/h5-8H,9-10H2,1-4H3
InChIKeyYWVYJFXNVLNBLU-UHFFFAOYSA-N
MW320.34 g/mol
LogP2.08
Rot. Bonds4

About tert-butyl N-[2-(1,3-dioxoisoindol-2-yl)oxyethyl]-N-methylcarbamate

tert-butyl N-[2-(1,3-dioxoisoindol-2-yl)oxyethyl]-N-methylcarbamate (PubChem CID 59846673) has the molecular formula C16H20N2O5 and a molecular weight of 320.34 g/mol. Its IUPAC name is tert-butyl N-[2-(1,3-dioxoisoindol-2-yl)oxyethyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(1,3-dioxoisoindol-2-yl)oxyethyl]-N-methylcarbamate
PubChem CID59846673
Molecular FormulaC16H20N2O5
Molecular Weight320.34 g/mol
Exact Mass320.14
IUPAC Nametert-butyl N-[2-(1,3-dioxoisoindol-2-yl)oxyethyl]-N-methylcarbamate
SMILESCN(CCON1C(=O)c2ccccc2C1=O)C(=O)OC(C)(C)C
InChIInChI=1S/C16H20N2O5/c1-16(2,3)23-15(21)17(4)9-10-22-18-13(19)11-7-5-6-8-12(11)14(18)20/h5-8H,9-10H2,1-4H3
InChIKeyYWVYJFXNVLNBLU-UHFFFAOYSA-N
XLogP2.08
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze tert-butyl N-[2-(1,3-dioxoisoindol-2-yl)oxyethyl]-N-methylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[2-(1,3-dioxoisoindol-2-yl)oxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-methylbutanoic acid
CID 89282889
(2S)-2-[2-(1,3-dioxoisoindol-2-yl)oxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-propan-2-yloxyacetic acid
CID 163429596
tert-butyl N-(1,3-dioxoisoindol-2-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 11793055
2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl benzoate
CID 137320760
2-[2-(diethylamino)ethoxy]isoindole-1,3-dione
CID 15918162
2-(1,3-dioxoisoindol-2-yl)oxyethyl N-hex-5-enyl-N-methylcarbamate
CID 130304736
2-(1,3-dioxoisoindol-2-yl)oxyethyl 4-[(2-methylpropan-2-yl)oxycarbonyl-(3-tritylsulfanylpropyl)amino]butyl carbonate
CID 140802846
tert-butyl N-(2-aminooxyethyl)-N-methylcarbamate
CID 23398498
tert-butyl N-[2-[(2-bromophenyl)methyl-methylamino]ethyl]-N-methylcarbamate
CID 162438476
2-(4-oxopentoxy)isoindole-1,3-dione
CID 46910149
2-(1,3-dioxoisoindol-2-yl)oxyethyl acetate;molecular hydrogen
CID 158595892
tert-butyl 2-[2-(1,3-dioxoisoindol-2-yl)ethyl-methylamino]acetate
CID 134509436

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(1,3-dioxoisoindol-2-yl)oxyethyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[2-(1,3-dioxoisoindol-2-yl)oxyethyl]-N-methylcarbamate (CID 59846673) is tert-butyl N-[2-(1,3-dioxoisoindol-2-yl)oxyethyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[2-(1,3-dioxoisoindol-2-yl)oxyethyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[2-(1,3-dioxoisoindol-2-yl)oxyethyl]-N-methylcarbamate is CN(CCON1C(=O)c2ccccc2C1=O)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(1,3-dioxoisoindol-2-yl)oxyethyl]-N-methylcarbamate?
The InChIKey is YWVYJFXNVLNBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5/c1-16(2,3)23-15(21)17(4)9-10-22-18-13(19)11-7-5-6-8-12(11)14(18)20/h5-8H,9-10H2,1-4H3.
What are the key properties of tert-butyl N-[2-(1,3-dioxoisoindol-2-yl)oxyethyl]-N-methylcarbamate?
tert-butyl N-[2-(1,3-dioxoisoindol-2-yl)oxyethyl]-N-methylcarbamate has a molecular weight of 320.34 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(1,3-dioxoisoindol-2-yl)oxyethyl]-N-methylcarbamate is sourced from PubChem (CID 59846673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).