4'-[(2-cyclohexyl-2-hydroxypropyl)amino]spiro[1H-indole-3,1'-cyclohexane]-2-one

C22H32N2O2 — CID 136535620

IUPAC4'-[(2-cyclohexyl-2-hydroxypropyl)amino]spiro[1H-indole-3,1'-cyclohexane]-2-one
SMILESCC(O)(CNC1CCC2(CC1)C(=O)Nc1ccccc12)C1CCCCC1
InChIInChI=1S/C22H32N2O2/c1-21(26,16-7-3-2-4-8-16)15-23-17-11-13-22(14-12-17)18-9-5-6-10-19(18)24-20(22)25/h5-6,9-10,16-17,23,26H,2-4,7-8,11-15H2,1H3,(H,24,25)
InChIKeyUTXAQUNXBZTUHD-UHFFFAOYSA-N
MW356.51 g/mol
LogP3.74
Rot. Bonds4

About 4'-[(2-cyclohexyl-2-hydroxypropyl)amino]spiro[1H-indole-3,1'-cyclohexane]-2-one

4'-[(2-cyclohexyl-2-hydroxypropyl)amino]spiro[1H-indole-3,1'-cyclohexane]-2-one (PubChem CID 136535620) has the molecular formula C22H32N2O2 and a molecular weight of 356.51 g/mol. Its IUPAC name is 4'-[(2-cyclohexyl-2-hydroxypropyl)amino]spiro[1H-indole-3,1'-cyclohexane]-2-one.

Molecular Properties

Compound Name4'-[(2-cyclohexyl-2-hydroxypropyl)amino]spiro[1H-indole-3,1'-cyclohexane]-2-one
PubChem CID136535620
Molecular FormulaC22H32N2O2
Molecular Weight356.51 g/mol
Exact Mass356.25
IUPAC Name4'-[(2-cyclohexyl-2-hydroxypropyl)amino]spiro[1H-indole-3,1'-cyclohexane]-2-one
SMILESCC(O)(CNC1CCC2(CC1)C(=O)Nc1ccccc12)C1CCCCC1
InChIInChI=1S/C22H32N2O2/c1-21(26,16-7-3-2-4-8-16)15-23-17-11-13-22(14-12-17)18-9-5-6-10-19(18)24-20(22)25/h5-6,9-10,16-17,23,26H,2-4,7-8,11-15H2,1H3,(H,24,25)
InChIKeyUTXAQUNXBZTUHD-UHFFFAOYSA-N
XLogP3.74
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4'-[(2-cyclohexyl-2-hydroxypropyl)amino]spiro[1H-indole-3,1'-cyclohexane]-2-one?
The IUPAC name of 4'-[(2-cyclohexyl-2-hydroxypropyl)amino]spiro[1H-indole-3,1'-cyclohexane]-2-one (CID 136535620) is 4'-[(2-cyclohexyl-2-hydroxypropyl)amino]spiro[1H-indole-3,1'-cyclohexane]-2-one.
What is the SMILES notation for 4'-[(2-cyclohexyl-2-hydroxypropyl)amino]spiro[1H-indole-3,1'-cyclohexane]-2-one?
The canonical SMILES for 4'-[(2-cyclohexyl-2-hydroxypropyl)amino]spiro[1H-indole-3,1'-cyclohexane]-2-one is CC(O)(CNC1CCC2(CC1)C(=O)Nc1ccccc12)C1CCCCC1.
What is the InChIKey of 4'-[(2-cyclohexyl-2-hydroxypropyl)amino]spiro[1H-indole-3,1'-cyclohexane]-2-one?
The InChIKey is UTXAQUNXBZTUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O2/c1-21(26,16-7-3-2-4-8-16)15-23-17-11-13-22(14-12-17)18-9-5-6-10-19(18)24-20(22)25/h5-6,9-10,16-17,23,26H,2-4,7-8,11-15H2,1H3,(H,24,25).
What are the key properties of 4'-[(2-cyclohexyl-2-hydroxypropyl)amino]spiro[1H-indole-3,1'-cyclohexane]-2-one?
4'-[(2-cyclohexyl-2-hydroxypropyl)amino]spiro[1H-indole-3,1'-cyclohexane]-2-one has a molecular weight of 356.51 g/mol, XLogP of 3.74, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-[(2-cyclohexyl-2-hydroxypropyl)amino]spiro[1H-indole-3,1'-cyclohexane]-2-one is sourced from PubChem (CID 136535620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).