tert-butyl N-[3-(2,6-dioxopiperidin-3-yl)oxyphenyl]carbamate

C16H20N2O5 — CID 177010805

IUPACtert-butyl N-[3-(2,6-dioxopiperidin-3-yl)oxyphenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(OC2CCC(=O)NC2=O)c1
InChIInChI=1S/C16H20N2O5/c1-16(2,3)23-15(21)17-10-5-4-6-11(9-10)22-12-7-8-13(19)18-14(12)20/h4-6,9,12H,7-8H2,1-3H3,(H,17,21)(H,18,19,20)
InChIKeyRWOXVWHVVMRLKT-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.22
Rot. Bonds3

About tert-butyl N-[3-(2,6-dioxopiperidin-3-yl)oxyphenyl]carbamate

tert-butyl N-[3-(2,6-dioxopiperidin-3-yl)oxyphenyl]carbamate (PubChem CID 177010805) has the molecular formula C16H20N2O5 and a molecular weight of 320.35 g/mol. Its IUPAC name is tert-butyl N-[3-(2,6-dioxopiperidin-3-yl)oxyphenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(2,6-dioxopiperidin-3-yl)oxyphenyl]carbamate
PubChem CID177010805
Molecular FormulaC16H20N2O5
Molecular Weight320.35 g/mol
Exact Mass320.14
IUPAC Nametert-butyl N-[3-(2,6-dioxopiperidin-3-yl)oxyphenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(OC2CCC(=O)NC2=O)c1
InChIInChI=1S/C16H20N2O5/c1-16(2,3)23-15(21)17-10-5-4-6-11(9-10)22-12-7-8-13(19)18-14(12)20/h4-6,9,12H,7-8H2,1-3H3,(H,17,21)(H,18,19,20)
InChIKeyRWOXVWHVVMRLKT-UHFFFAOYSA-N
XLogP2.22
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[3-(2,6-dioxopiperidin-3-yl)oxyphenyl]carbamate?
The IUPAC name of tert-butyl N-[3-(2,6-dioxopiperidin-3-yl)oxyphenyl]carbamate (CID 177010805) is tert-butyl N-[3-(2,6-dioxopiperidin-3-yl)oxyphenyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(2,6-dioxopiperidin-3-yl)oxyphenyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(2,6-dioxopiperidin-3-yl)oxyphenyl]carbamate is CC(C)(C)OC(=O)Nc1cccc(OC2CCC(=O)NC2=O)c1.
What is the InChIKey of tert-butyl N-[3-(2,6-dioxopiperidin-3-yl)oxyphenyl]carbamate?
The InChIKey is RWOXVWHVVMRLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5/c1-16(2,3)23-15(21)17-10-5-4-6-11(9-10)22-12-7-8-13(19)18-14(12)20/h4-6,9,12H,7-8H2,1-3H3,(H,17,21)(H,18,19,20).
What are the key properties of tert-butyl N-[3-(2,6-dioxopiperidin-3-yl)oxyphenyl]carbamate?
tert-butyl N-[3-(2,6-dioxopiperidin-3-yl)oxyphenyl]carbamate has a molecular weight of 320.35 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(2,6-dioxopiperidin-3-yl)oxyphenyl]carbamate is sourced from PubChem (CID 177010805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).