5-[1-(1-benzofuran-2-yl)ethylamino]spiro[1H-indole-3,1'-cyclohexane]-2-one

C23H24N2O2 — CID 154850903

IUPAC5-[1-(1-benzofuran-2-yl)ethylamino]spiro[1H-indole-3,1'-cyclohexane]-2-one
SMILESCC(Nc1ccc2c(c1)C1(CCCCC1)C(=O)N2)c1cc2ccccc2o1
InChIInChI=1S/C23H24N2O2/c1-15(21-13-16-7-3-4-8-20(16)27-21)24-17-9-10-19-18(14-17)23(22(26)25-19)11-5-2-6-12-23/h3-4,7-10,13-15,24H,2,5-6,11-12H2,1H3,(H,25,26)
InChIKeyRZGSOZCQQBJJQC-UHFFFAOYSA-N
MW360.46 g/mol
LogP5.76
Rot. Bonds3

About 5-[1-(1-benzofuran-2-yl)ethylamino]spiro[1H-indole-3,1'-cyclohexane]-2-one

5-[1-(1-benzofuran-2-yl)ethylamino]spiro[1H-indole-3,1'-cyclohexane]-2-one (PubChem CID 154850903) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 5-[1-(1-benzofuran-2-yl)ethylamino]spiro[1H-indole-3,1'-cyclohexane]-2-one.

Molecular Properties

Compound Name5-[1-(1-benzofuran-2-yl)ethylamino]spiro[1H-indole-3,1'-cyclohexane]-2-one
PubChem CID154850903
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name5-[1-(1-benzofuran-2-yl)ethylamino]spiro[1H-indole-3,1'-cyclohexane]-2-one
SMILESCC(Nc1ccc2c(c1)C1(CCCCC1)C(=O)N2)c1cc2ccccc2o1
InChIInChI=1S/C23H24N2O2/c1-15(21-13-16-7-3-4-8-20(16)27-21)24-17-9-10-19-18(14-17)23(22(26)25-19)11-5-2-6-12-23/h3-4,7-10,13-15,24H,2,5-6,11-12H2,1H3,(H,25,26)
InChIKeyRZGSOZCQQBJJQC-UHFFFAOYSA-N
XLogP5.76
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.46
LogP ≤ 55.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1-benzofuran-2-yl)ethyl]-3-fluoroaniline
CID 43194276
1-[1-(1-benzofuran-2-yl)ethyl]-3-(3-oxo-4H-1,4-benzoxazin-7-yl)urea
CID 78893273
2-methoxy-N-(2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)benzamide
CID 110405589
2-[4-[1-(1-benzofuran-2-yl)ethylamino]phenyl]acetonitrile
CID 43722234
N-[1-(1-benzofuran-2-yl)ethyl]cyclopropanamine
CID 18071242
1-[1-(1-benzofuran-2-yl)ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111103936
N-[1-(1-benzofuran-2-yl)ethyl]-2-ethylaniline
CID 43102235
1-(1-benzofuran-2-yl)-N-[(4-methyloxan-4-yl)methyl]ethanamine
CID 103903386
1-[1-(1-benzofuran-2-yl)ethyl]-3-[(1-hydroxycyclohexyl)methyl]-2-methylguanidine;hydroiodide
CID 119133298
2,4-dimethyl-N-(2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)benzenesulfonamide
CID 110405656
5-(6-methyl-3-pyridinyl)spiro[1H-indole-3,1'-cyclohexane]-2-one
CID 138045616
N-(2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl)quinoline-8-sulfonamide
CID 118169114

Frequently Asked Questions

What is the IUPAC name of 5-[1-(1-benzofuran-2-yl)ethylamino]spiro[1H-indole-3,1'-cyclohexane]-2-one?
The IUPAC name of 5-[1-(1-benzofuran-2-yl)ethylamino]spiro[1H-indole-3,1'-cyclohexane]-2-one (CID 154850903) is 5-[1-(1-benzofuran-2-yl)ethylamino]spiro[1H-indole-3,1'-cyclohexane]-2-one.
What is the SMILES notation for 5-[1-(1-benzofuran-2-yl)ethylamino]spiro[1H-indole-3,1'-cyclohexane]-2-one?
The canonical SMILES for 5-[1-(1-benzofuran-2-yl)ethylamino]spiro[1H-indole-3,1'-cyclohexane]-2-one is CC(Nc1ccc2c(c1)C1(CCCCC1)C(=O)N2)c1cc2ccccc2o1.
What is the InChIKey of 5-[1-(1-benzofuran-2-yl)ethylamino]spiro[1H-indole-3,1'-cyclohexane]-2-one?
The InChIKey is RZGSOZCQQBJJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2/c1-15(21-13-16-7-3-4-8-20(16)27-21)24-17-9-10-19-18(14-17)23(22(26)25-19)11-5-2-6-12-23/h3-4,7-10,13-15,24H,2,5-6,11-12H2,1H3,(H,25,26).
What are the key properties of 5-[1-(1-benzofuran-2-yl)ethylamino]spiro[1H-indole-3,1'-cyclohexane]-2-one?
5-[1-(1-benzofuran-2-yl)ethylamino]spiro[1H-indole-3,1'-cyclohexane]-2-one has a molecular weight of 360.46 g/mol, XLogP of 5.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(1-benzofuran-2-yl)ethylamino]spiro[1H-indole-3,1'-cyclohexane]-2-one is sourced from PubChem (CID 154850903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).