2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-(3,3-dimethylbutan-2-ylamino)propyl]isoindole-1,3-dione

C23H38N2O3Si — CID 169005862

IUPAC2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-(3,3-dimethylbutan-2-ylamino)propyl]isoindole-1,3-dione
SMILESCC(NC[C@H](CN1C(=O)c2ccccc2C1=O)O[Si](C)(C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C23H38N2O3Si/c1-16(22(2,3)4)24-14-17(28-29(8,9)23(5,6)7)15-25-20(26)18-12-10-11-13-19(18)21(25)27/h10-13,16-17,24H,14-15H2,1-9H3/t16?,17-/m1/s1
InChIKeyMEYQOEXWKGDRQC-ZYMOGRSISA-N
MW418.65 g/mol
LogP4.70
Rot. Bonds7

About 2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-(3,3-dimethylbutan-2-ylamino)propyl]isoindole-1,3-dione

2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-(3,3-dimethylbutan-2-ylamino)propyl]isoindole-1,3-dione (PubChem CID 169005862) has the molecular formula C23H38N2O3Si and a molecular weight of 418.65 g/mol. Its IUPAC name is 2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-(3,3-dimethylbutan-2-ylamino)propyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-(3,3-dimethylbutan-2-ylamino)propyl]isoindole-1,3-dione
PubChem CID169005862
Molecular FormulaC23H38N2O3Si
Molecular Weight418.65 g/mol
Exact Mass418.27
IUPAC Name2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-(3,3-dimethylbutan-2-ylamino)propyl]isoindole-1,3-dione
SMILESCC(NC[C@H](CN1C(=O)c2ccccc2C1=O)O[Si](C)(C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C23H38N2O3Si/c1-16(22(2,3)4)24-14-17(28-29(8,9)23(5,6)7)15-25-20(26)18-12-10-11-13-19(18)21(25)27/h10-13,16-17,24H,14-15H2,1-9H3/t16?,17-/m1/s1
InChIKeyMEYQOEXWKGDRQC-ZYMOGRSISA-N
XLogP4.70
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.65
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-(3,3-dimethylbutan-2-ylamino)propyl]isoindole-1,3-dione with MolForge

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Related Compounds

A-2545
CID 185295
N-cyclopentyl-6-(1,3-dioxoisoindol-2-yl)hexanamide
CID 644725
4-(1,3-dioxoisoindol-2-yl)-N-(2-methylcyclohexyl)butanamide
CID 4779528
N-cyclohexyl-7-(1,3-dioxoisoindol-2-yl)heptanamide
CID 3148604
3-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-N-(1-phenyl-ethyl)-propionamide
CID 2878123
2-Isoindolinebutyramide, 1,3-dioxo-N-ethyl-
CID 39426
1H-Pyrrole-3-carboxamide, 2,5-dihydro-N-(3-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)propyl)-2,2,5,5-tetramethyl-, monohydrochloride
CID 16205791
N-cycloheptyl-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 2066140
2-Isoindolinebutyramide, 1,3-dioxo-N-propyl-
CID 39427
2-Isoindolinebutyramide, 1,3-dioxo-N-butyl-
CID 52948
1H-Pyrrole-3-carboxamide, 2,5-dihydro-N-(3-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-2-hydroxypropyl)-2,2,5,5-tetramethyl-, monohydrochloride
CID 24845203
2-(3-amino-2-hydroxypropyl)-2,3-dihydro-1H-isoindole-1,3-dione hydrochloride
CID 22219128

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-(3,3-dimethylbutan-2-ylamino)propyl]isoindole-1,3-dione?
The IUPAC name of 2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-(3,3-dimethylbutan-2-ylamino)propyl]isoindole-1,3-dione (CID 169005862) is 2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-(3,3-dimethylbutan-2-ylamino)propyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-(3,3-dimethylbutan-2-ylamino)propyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-(3,3-dimethylbutan-2-ylamino)propyl]isoindole-1,3-dione is CC(NC[C@H](CN1C(=O)c2ccccc2C1=O)O[Si](C)(C)C(C)(C)C)C(C)(C)C.
What is the InChIKey of 2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-(3,3-dimethylbutan-2-ylamino)propyl]isoindole-1,3-dione?
The InChIKey is MEYQOEXWKGDRQC-ZYMOGRSISA-N. The full InChI is InChI=1S/C23H38N2O3Si/c1-16(22(2,3)4)24-14-17(28-29(8,9)23(5,6)7)15-25-20(26)18-12-10-11-13-19(18)21(25)27/h10-13,16-17,24H,14-15H2,1-9H3/t16?,17-/m1/s1.
What are the key properties of 2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-(3,3-dimethylbutan-2-ylamino)propyl]isoindole-1,3-dione?
2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-(3,3-dimethylbutan-2-ylamino)propyl]isoindole-1,3-dione has a molecular weight of 418.65 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-(3,3-dimethylbutan-2-ylamino)propyl]isoindole-1,3-dione is sourced from PubChem (CID 169005862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).