2-amino-2-methyl-N-[(2R)-1-oxo-3-phenyl-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]propanamide

C26H33N3O2 — CID 22867360

IUPAC2-amino-2-methyl-N-[(2R)-1-oxo-3-phenyl-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]propanamide
SMILESCC(C)(N)C(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC2(CCc3ccccc32)CC1
InChIInChI=1S/C26H33N3O2/c1-25(2,27)24(31)28-22(18-19-8-4-3-5-9-19)23(30)29-16-14-26(15-17-29)13-12-20-10-6-7-11-21(20)26/h3-11,22H,12-18,27H2,1-2H3,(H,28,31)/t22-/m1/s1
InChIKeyNRKOOTOHKWUCOH-JOCHJYFZSA-N
MW419.57 g/mol
LogP2.96
Rot. Bonds5

About 2-amino-2-methyl-N-[(2R)-1-oxo-3-phenyl-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]propanamide

2-amino-2-methyl-N-[(2R)-1-oxo-3-phenyl-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]propanamide (PubChem CID 22867360) has the molecular formula C26H33N3O2 and a molecular weight of 419.57 g/mol. Its IUPAC name is 2-amino-2-methyl-N-[(2R)-1-oxo-3-phenyl-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]propanamide.

Molecular Properties

Compound Name2-amino-2-methyl-N-[(2R)-1-oxo-3-phenyl-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]propanamide
PubChem CID22867360
Molecular FormulaC26H33N3O2
Molecular Weight419.57 g/mol
Exact Mass419.26
IUPAC Name2-amino-2-methyl-N-[(2R)-1-oxo-3-phenyl-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]propanamide
SMILESCC(C)(N)C(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC2(CCc3ccccc32)CC1
InChIInChI=1S/C26H33N3O2/c1-25(2,27)24(31)28-22(18-19-8-4-3-5-9-19)23(30)29-16-14-26(15-17-29)13-12-20-10-6-7-11-21(20)26/h3-11,22H,12-18,27H2,1-2H3,(H,28,31)/t22-/m1/s1
InChIKeyNRKOOTOHKWUCOH-JOCHJYFZSA-N
XLogP2.96
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-[(2R)-1-oxo-3-phenyl-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]propanamide?
The IUPAC name of 2-amino-2-methyl-N-[(2R)-1-oxo-3-phenyl-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]propanamide (CID 22867360) is 2-amino-2-methyl-N-[(2R)-1-oxo-3-phenyl-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]propanamide.
What is the SMILES notation for 2-amino-2-methyl-N-[(2R)-1-oxo-3-phenyl-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]propanamide?
The canonical SMILES for 2-amino-2-methyl-N-[(2R)-1-oxo-3-phenyl-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]propanamide is CC(C)(N)C(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC2(CCc3ccccc32)CC1.
What is the InChIKey of 2-amino-2-methyl-N-[(2R)-1-oxo-3-phenyl-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]propanamide?
The InChIKey is NRKOOTOHKWUCOH-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H33N3O2/c1-25(2,27)24(31)28-22(18-19-8-4-3-5-9-19)23(30)29-16-14-26(15-17-29)13-12-20-10-6-7-11-21(20)26/h3-11,22H,12-18,27H2,1-2H3,(H,28,31)/t22-/m1/s1.
What are the key properties of 2-amino-2-methyl-N-[(2R)-1-oxo-3-phenyl-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]propanamide?
2-amino-2-methyl-N-[(2R)-1-oxo-3-phenyl-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]propanamide has a molecular weight of 419.57 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-N-[(2R)-1-oxo-3-phenyl-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]propanamide is sourced from PubChem (CID 22867360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).