2-methyl-N-(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)propanamide

C17H22N2O2 — CID 110405476

IUPAC2-methyl-N-(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)propanamide
SMILESCC(C)C(=O)Nc1ccc2c(c1)C1(CCCCC1)C(=O)N2
InChIInChI=1S/C17H22N2O2/c1-11(2)15(20)18-12-6-7-14-13(10-12)17(16(21)19-14)8-4-3-5-9-17/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyBGLKJGULHICHNF-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.44
Rot. Bonds2

About 2-methyl-N-(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)propanamide

2-methyl-N-(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)propanamide (PubChem CID 110405476) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-methyl-N-(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)propanamide
PubChem CID110405476
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name2-methyl-N-(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)propanamide
SMILESCC(C)C(=O)Nc1ccc2c(c1)C1(CCCCC1)C(=O)N2
InChIInChI=1S/C17H22N2O2/c1-11(2)15(20)18-12-6-7-14-13(10-12)17(16(21)19-14)8-4-3-5-9-17/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyBGLKJGULHICHNF-UHFFFAOYSA-N
XLogP3.44
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)propanamide?
The IUPAC name of 2-methyl-N-(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)propanamide (CID 110405476) is 2-methyl-N-(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)propanamide.
What is the SMILES notation for 2-methyl-N-(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)propanamide?
The canonical SMILES for 2-methyl-N-(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)propanamide is CC(C)C(=O)Nc1ccc2c(c1)C1(CCCCC1)C(=O)N2.
What is the InChIKey of 2-methyl-N-(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)propanamide?
The InChIKey is BGLKJGULHICHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-11(2)15(20)18-12-6-7-14-13(10-12)17(16(21)19-14)8-4-3-5-9-17/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 2-methyl-N-(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)propanamide?
2-methyl-N-(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)propanamide has a molecular weight of 286.38 g/mol, XLogP of 3.44, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)propanamide is sourced from PubChem (CID 110405476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).