6-(2-aminopropoxy)-1'-[[(2R)-oxolan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one

C23H26N2O4 — CID 45280167

IUPAC6-(2-aminopropoxy)-1'-[[(2R)-oxolan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one
SMILESCC(N)COc1ccc2c(c1)OCC21C(=O)N(C[C@H]2CCCO2)c2ccccc21
InChIInChI=1S/C23H26N2O4/c1-15(24)13-28-16-8-9-19-21(11-16)29-14-23(19)18-6-2-3-7-20(18)25(22(23)26)12-17-5-4-10-27-17/h2-3,6-9,11,15,17H,4-5,10,12-14,24H2,1H3/t15?,17-,23?/m1/s1
InChIKeyHENHNMJNEAWPNO-FXVOITISSA-N
MW394.47 g/mol
LogP2.62
Rot. Bonds5

About 6-(2-aminopropoxy)-1'-[[(2R)-oxolan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one

6-(2-aminopropoxy)-1'-[[(2R)-oxolan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one (PubChem CID 45280167) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is 6-(2-aminopropoxy)-1'-[[(2R)-oxolan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one.

Molecular Properties

Compound Name6-(2-aminopropoxy)-1'-[[(2R)-oxolan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one
PubChem CID45280167
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name6-(2-aminopropoxy)-1'-[[(2R)-oxolan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one
SMILESCC(N)COc1ccc2c(c1)OCC21C(=O)N(C[C@H]2CCCO2)c2ccccc21
InChIInChI=1S/C23H26N2O4/c1-15(24)13-28-16-8-9-19-21(11-16)29-14-23(19)18-6-2-3-7-20(18)25(22(23)26)12-17-5-4-10-27-17/h2-3,6-9,11,15,17H,4-5,10,12-14,24H2,1H3/t15?,17-,23?/m1/s1
InChIKeyHENHNMJNEAWPNO-FXVOITISSA-N
XLogP2.62
TPSA74.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(2-aminopropoxy)-1'-[[(2R)-oxolan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one with MolForge

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Related Compounds

Xen-907
CID 11998198
3-(5-(tert-Butyl)-2-(2-morpholinoethoxy)phenyl)-3-(4-methoxyphenyl)indolin-2-one
CID 73353996
3-[5-tert-butyl-2-[2-(dimethylamino)ethoxy]phenyl]-3-phenyl-1H-indol-2-one
CID 73355530
5,6-difluoro-1'-pentylspiro[1-benzofuran-3,3'-indol]-2'(1'H)-one
CID 11998468
6-methoxy-1'-pentylspiro[1-benzofuran-3,3'-indol]-2'(1H)-one
CID 59263528
5-fluoro-6-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one
CID 59352369
6-methoxy-1'-(tetrahydro-2H-pyran-2-ylmethyl)spiro[1-benzofuran-3,3'-indol]-2'(1'H)-one
CID 59352665
6-methoxy-1'-[(2R)-tetrahydrofuran-2-ylmethyl]spiro[1-benzofuran-3,3'-indol]-2'(1'H)-one
CID 59352762
3,3-Bis[5-tert-butyl-2-[2-(dimethylamino)ethoxy]phenyl]-1-[2-(dimethylamino)ethyl]indol-2-one
CID 73425566
3,3-Bis[5-tert-butyl-2-(2-pyrrolidin-1-ylethoxy)phenyl]-1-(2-pyrrolidin-1-ylethyl)indol-2-one
CID 90089279
3,3-Bis[5-tert-butyl-2-[2-(diethylamino)ethoxy]phenyl]-1-[2-(diethylamino)ethyl]indol-2-one
CID 90089301
3,3-Bis[5-tert-butyl-2-(2-pyrrolidin-1-ylethoxy)phenyl]-1-[2-(dimethylamino)ethyl]indol-2-one
CID 90089335

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminopropoxy)-1'-[[(2R)-oxolan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one?
The IUPAC name of 6-(2-aminopropoxy)-1'-[[(2R)-oxolan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one (CID 45280167) is 6-(2-aminopropoxy)-1'-[[(2R)-oxolan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one.
What is the SMILES notation for 6-(2-aminopropoxy)-1'-[[(2R)-oxolan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one?
The canonical SMILES for 6-(2-aminopropoxy)-1'-[[(2R)-oxolan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one is CC(N)COc1ccc2c(c1)OCC21C(=O)N(C[C@H]2CCCO2)c2ccccc21.
What is the InChIKey of 6-(2-aminopropoxy)-1'-[[(2R)-oxolan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one?
The InChIKey is HENHNMJNEAWPNO-FXVOITISSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-15(24)13-28-16-8-9-19-21(11-16)29-14-23(19)18-6-2-3-7-20(18)25(22(23)26)12-17-5-4-10-27-17/h2-3,6-9,11,15,17H,4-5,10,12-14,24H2,1H3/t15?,17-,23?/m1/s1.
What are the key properties of 6-(2-aminopropoxy)-1'-[[(2R)-oxolan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one?
6-(2-aminopropoxy)-1'-[[(2R)-oxolan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one has a molecular weight of 394.47 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminopropoxy)-1'-[[(2R)-oxolan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one is sourced from PubChem (CID 45280167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).