tert-butyl N-[1-[[(5R)-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]carbamoyl]cyclobutyl]carbamate

C21H25N3O6 — CID 146205331

IUPACtert-butyl N-[1-[[(5R)-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]carbamoyl]cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(C(=O)Nc2ccc3c(c2)CC[C@@]32OC(=O)NC2=O)CCC1
InChIInChI=1S/C21H25N3O6/c1-19(2,3)29-18(28)24-20(8-4-9-20)15(25)22-13-5-6-14-12(11-13)7-10-21(14)16(26)23-17(27)30-21/h5-6,11H,4,7-10H2,1-3H3,(H,22,25)(H,24,28)(H,23,26,27)/t21-/m1/s1
InChIKeyWZKOJRKQTOJBSL-OAQYLSRUSA-N
MW415.45 g/mol
LogP2.48
Rot. Bonds3

About tert-butyl N-[1-[[(5R)-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]carbamoyl]cyclobutyl]carbamate

tert-butyl N-[1-[[(5R)-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]carbamoyl]cyclobutyl]carbamate (PubChem CID 146205331) has the molecular formula C21H25N3O6 and a molecular weight of 415.45 g/mol. Its IUPAC name is tert-butyl N-[1-[[(5R)-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]carbamoyl]cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[[(5R)-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]carbamoyl]cyclobutyl]carbamate
PubChem CID146205331
Molecular FormulaC21H25N3O6
Molecular Weight415.45 g/mol
Exact Mass415.17
IUPAC Nametert-butyl N-[1-[[(5R)-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]carbamoyl]cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(C(=O)Nc2ccc3c(c2)CC[C@@]32OC(=O)NC2=O)CCC1
InChIInChI=1S/C21H25N3O6/c1-19(2,3)29-18(28)24-20(8-4-9-20)15(25)22-13-5-6-14-12(11-13)7-10-21(14)16(26)23-17(27)30-21/h5-6,11H,4,7-10H2,1-3H3,(H,22,25)(H,24,28)(H,23,26,27)/t21-/m1/s1
InChIKeyWZKOJRKQTOJBSL-OAQYLSRUSA-N
XLogP2.48
TPSA122.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[1-[[(5R)-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]carbamoyl]cyclobutyl]carbamate with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[[(5R)-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]carbamoyl]cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[1-[[(5R)-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]carbamoyl]cyclobutyl]carbamate (CID 146205331) is tert-butyl N-[1-[[(5R)-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]carbamoyl]cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[[(5R)-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]carbamoyl]cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[[(5R)-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]carbamoyl]cyclobutyl]carbamate is CC(C)(C)OC(=O)NC1(C(=O)Nc2ccc3c(c2)CC[C@@]32OC(=O)NC2=O)CCC1.
What is the InChIKey of tert-butyl N-[1-[[(5R)-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]carbamoyl]cyclobutyl]carbamate?
The InChIKey is WZKOJRKQTOJBSL-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H25N3O6/c1-19(2,3)29-18(28)24-20(8-4-9-20)15(25)22-13-5-6-14-12(11-13)7-10-21(14)16(26)23-17(27)30-21/h5-6,11H,4,7-10H2,1-3H3,(H,22,25)(H,24,28)(H,23,26,27)/t21-/m1/s1.
What are the key properties of tert-butyl N-[1-[[(5R)-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]carbamoyl]cyclobutyl]carbamate?
tert-butyl N-[1-[[(5R)-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]carbamoyl]cyclobutyl]carbamate has a molecular weight of 415.45 g/mol, XLogP of 2.48, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[[(5R)-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]carbamoyl]cyclobutyl]carbamate is sourced from PubChem (CID 146205331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).