tert-butyl N-(1,3-dioxoisoindol-2-yl)-N-propan-2-ylcarbamate

C16H20N2O4 — CID 10852046

IUPACtert-butyl N-(1,3-dioxoisoindol-2-yl)-N-propan-2-ylcarbamate
SMILESCC(C)N(C(=O)OC(C)(C)C)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C16H20N2O4/c1-10(2)17(15(21)22-16(3,4)5)18-13(19)11-8-6-7-9-12(11)14(18)20/h6-10H,1-5H3
InChIKeyGQMRJDWDHFZOCS-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.84
Rot. Bonds2

About tert-butyl N-(1,3-dioxoisoindol-2-yl)-N-propan-2-ylcarbamate

tert-butyl N-(1,3-dioxoisoindol-2-yl)-N-propan-2-ylcarbamate (PubChem CID 10852046) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is tert-butyl N-(1,3-dioxoisoindol-2-yl)-N-propan-2-ylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(1,3-dioxoisoindol-2-yl)-N-propan-2-ylcarbamate
PubChem CID10852046
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Nametert-butyl N-(1,3-dioxoisoindol-2-yl)-N-propan-2-ylcarbamate
SMILESCC(C)N(C(=O)OC(C)(C)C)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C16H20N2O4/c1-10(2)17(15(21)22-16(3,4)5)18-13(19)11-8-6-7-9-12(11)14(18)20/h6-10H,1-5H3
InChIKeyGQMRJDWDHFZOCS-UHFFFAOYSA-N
XLogP2.84
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(1,3-dioxoisoindol-2-yl)-N-propan-2-ylcarbamate?
The IUPAC name of tert-butyl N-(1,3-dioxoisoindol-2-yl)-N-propan-2-ylcarbamate (CID 10852046) is tert-butyl N-(1,3-dioxoisoindol-2-yl)-N-propan-2-ylcarbamate.
What is the SMILES notation for tert-butyl N-(1,3-dioxoisoindol-2-yl)-N-propan-2-ylcarbamate?
The canonical SMILES for tert-butyl N-(1,3-dioxoisoindol-2-yl)-N-propan-2-ylcarbamate is CC(C)N(C(=O)OC(C)(C)C)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of tert-butyl N-(1,3-dioxoisoindol-2-yl)-N-propan-2-ylcarbamate?
The InChIKey is GQMRJDWDHFZOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-10(2)17(15(21)22-16(3,4)5)18-13(19)11-8-6-7-9-12(11)14(18)20/h6-10H,1-5H3.
What are the key properties of tert-butyl N-(1,3-dioxoisoindol-2-yl)-N-propan-2-ylcarbamate?
tert-butyl N-(1,3-dioxoisoindol-2-yl)-N-propan-2-ylcarbamate has a molecular weight of 304.35 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1,3-dioxoisoindol-2-yl)-N-propan-2-ylcarbamate is sourced from PubChem (CID 10852046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).