N-tert-butyl-2'-oxospiro[1,2-dihydroindole-3,3'-azetidine]-1'-carboxamide

C15H19N3O2 — CID 175055981

IUPACN-tert-butyl-2'-oxospiro[1,2-dihydroindole-3,3'-azetidine]-1'-carboxamide
SMILESCC(C)(C)NC(=O)N1CC2(CNc3ccccc32)C1=O
InChIInChI=1S/C15H19N3O2/c1-14(2,3)17-13(20)18-9-15(12(18)19)8-16-11-7-5-4-6-10(11)15/h4-7,16H,8-9H2,1-3H3,(H,17,20)
InChIKeyKXAWPMJJLSRQMW-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.70
Rot. Bonds

About N-tert-butyl-2'-oxospiro[1,2-dihydroindole-3,3'-azetidine]-1'-carboxamide

N-tert-butyl-2'-oxospiro[1,2-dihydroindole-3,3'-azetidine]-1'-carboxamide (PubChem CID 175055981) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-tert-butyl-2'-oxospiro[1,2-dihydroindole-3,3'-azetidine]-1'-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2'-oxospiro[1,2-dihydroindole-3,3'-azetidine]-1'-carboxamide
PubChem CID175055981
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-tert-butyl-2'-oxospiro[1,2-dihydroindole-3,3'-azetidine]-1'-carboxamide
SMILESCC(C)(C)NC(=O)N1CC2(CNc3ccccc32)C1=O
InChIInChI=1S/C15H19N3O2/c1-14(2,3)17-13(20)18-9-15(12(18)19)8-16-11-7-5-4-6-10(11)15/h4-7,16H,8-9H2,1-3H3,(H,17,20)
InChIKeyKXAWPMJJLSRQMW-UHFFFAOYSA-N
XLogP1.70
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2'-oxospiro[1,2-dihydroindole-3,3'-azetidine]-1'-carboxamide?
The IUPAC name of N-tert-butyl-2'-oxospiro[1,2-dihydroindole-3,3'-azetidine]-1'-carboxamide (CID 175055981) is N-tert-butyl-2'-oxospiro[1,2-dihydroindole-3,3'-azetidine]-1'-carboxamide.
What is the SMILES notation for N-tert-butyl-2'-oxospiro[1,2-dihydroindole-3,3'-azetidine]-1'-carboxamide?
The canonical SMILES for N-tert-butyl-2'-oxospiro[1,2-dihydroindole-3,3'-azetidine]-1'-carboxamide is CC(C)(C)NC(=O)N1CC2(CNc3ccccc32)C1=O.
What is the InChIKey of N-tert-butyl-2'-oxospiro[1,2-dihydroindole-3,3'-azetidine]-1'-carboxamide?
The InChIKey is KXAWPMJJLSRQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-14(2,3)17-13(20)18-9-15(12(18)19)8-16-11-7-5-4-6-10(11)15/h4-7,16H,8-9H2,1-3H3,(H,17,20).
What are the key properties of N-tert-butyl-2'-oxospiro[1,2-dihydroindole-3,3'-azetidine]-1'-carboxamide?
N-tert-butyl-2'-oxospiro[1,2-dihydroindole-3,3'-azetidine]-1'-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 1.70, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2'-oxospiro[1,2-dihydroindole-3,3'-azetidine]-1'-carboxamide is sourced from PubChem (CID 175055981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).