tert-butyl N-[4-[(5S)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]carbamate

C23H23N3O6 — CID 69256652

IUPACtert-butyl N-[4-[(5S)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(N2C[C@H](CN3C(=O)c4ccccc4C3=O)OC2=O)cc1
InChIInChI=1S/C23H23N3O6/c1-23(2,3)32-21(29)24-14-8-10-15(11-9-14)25-12-16(31-22(25)30)13-26-19(27)17-6-4-5-7-18(17)20(26)28/h4-11,16H,12-13H2,1-3H3,(H,24,29)/t16-/m1/s1
InChIKeyFABTVKQAARXACC-MRXNPFEDSA-N
MW437.45 g/mol
LogP3.65
Rot. Bonds4

About tert-butyl N-[4-[(5S)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]carbamate

tert-butyl N-[4-[(5S)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]carbamate (PubChem CID 69256652) has the molecular formula C23H23N3O6 and a molecular weight of 437.45 g/mol. Its IUPAC name is tert-butyl N-[4-[(5S)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[(5S)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]carbamate
PubChem CID69256652
Molecular FormulaC23H23N3O6
Molecular Weight437.45 g/mol
Exact Mass437.16
IUPAC Nametert-butyl N-[4-[(5S)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(N2C[C@H](CN3C(=O)c4ccccc4C3=O)OC2=O)cc1
InChIInChI=1S/C23H23N3O6/c1-23(2,3)32-21(29)24-14-8-10-15(11-9-14)25-12-16(31-22(25)30)13-26-19(27)17-6-4-5-7-18(17)20(26)28/h4-11,16H,12-13H2,1-3H3,(H,24,29)/t16-/m1/s1
InChIKeyFABTVKQAARXACC-MRXNPFEDSA-N
XLogP3.65
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.45
LogP ≤ 53.65
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 tert-butyl N-[4-[(5S)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-[(5S)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]carbamate (CID 69256652) is tert-butyl N-[4-[(5S)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[(5S)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[(5S)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(N2C[C@H](CN3C(=O)c4ccccc4C3=O)OC2=O)cc1.
What is the InChIKey of tert-butyl N-[4-[(5S)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]carbamate?
The InChIKey is FABTVKQAARXACC-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H23N3O6/c1-23(2,3)32-21(29)24-14-8-10-15(11-9-14)25-12-16(31-22(25)30)13-26-19(27)17-6-4-5-7-18(17)20(26)28/h4-11,16H,12-13H2,1-3H3,(H,24,29)/t16-/m1/s1.
What are the key properties of tert-butyl N-[4-[(5S)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]carbamate?
tert-butyl N-[4-[(5S)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]carbamate has a molecular weight of 437.45 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[(5S)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]carbamate is sourced from PubChem (CID 69256652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).