1-[2'-oxo-1'-[[(2R)-oxolan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-6-yl]oxypropan-2-ylcarbamic acid

C24H26N2O6 — CID 67356223

IUPAC1-[2'-oxo-1'-[[(2R)-oxolan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-6-yl]oxypropan-2-ylcarbamic acid
SMILESCC(COc1ccc2c(c1)OCC21C(=O)N(C[C@H]2CCCO2)c2ccccc21)NC(=O)O
InChIInChI=1S/C24H26N2O6/c1-15(25-23(28)29)13-31-16-8-9-19-21(11-16)32-14-24(19)18-6-2-3-7-20(18)26(22(24)27)12-17-5-4-10-30-17/h2-3,6-9,11,15,17,25H,4-5,10,12-14H2,1H3,(H,28,29)/t15?,17-,24?/m1/s1
InChIKeyUWWIITARFDBOAL-JQOCKAFUSA-N
MW438.48 g/mol
LogP2.93
Rot. Bonds6

About 1-[2'-oxo-1'-[[(2R)-oxolan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-6-yl]oxypropan-2-ylcarbamic acid

1-[2'-oxo-1'-[[(2R)-oxolan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-6-yl]oxypropan-2-ylcarbamic acid (PubChem CID 67356223) has the molecular formula C24H26N2O6 and a molecular weight of 438.48 g/mol. Its IUPAC name is 1-[2'-oxo-1'-[[(2R)-oxolan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-6-yl]oxypropan-2-ylcarbamic acid.

Molecular Properties

Compound Name1-[2'-oxo-1'-[[(2R)-oxolan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-6-yl]oxypropan-2-ylcarbamic acid
PubChem CID67356223
Molecular FormulaC24H26N2O6
Molecular Weight438.48 g/mol
Exact Mass438.18
IUPAC Name1-[2'-oxo-1'-[[(2R)-oxolan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-6-yl]oxypropan-2-ylcarbamic acid
SMILESCC(COc1ccc2c(c1)OCC21C(=O)N(C[C@H]2CCCO2)c2ccccc21)NC(=O)O
InChIInChI=1S/C24H26N2O6/c1-15(25-23(28)29)13-31-16-8-9-19-21(11-16)32-14-24(19)18-6-2-3-7-20(18)26(22(24)27)12-17-5-4-10-30-17/h2-3,6-9,11,15,17,25H,4-5,10,12-14H2,1H3,(H,28,29)/t15?,17-,24?/m1/s1
InChIKeyUWWIITARFDBOAL-JQOCKAFUSA-N
XLogP2.93
TPSA97.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2'-oxo-1'-[[(2R)-oxolan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-6-yl]oxypropan-2-ylcarbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2'-oxo-1'-[[(2R)-oxolan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-6-yl]oxypropan-2-ylcarbamic acid?
The IUPAC name of 1-[2'-oxo-1'-[[(2R)-oxolan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-6-yl]oxypropan-2-ylcarbamic acid (CID 67356223) is 1-[2'-oxo-1'-[[(2R)-oxolan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-6-yl]oxypropan-2-ylcarbamic acid.
What is the SMILES notation for 1-[2'-oxo-1'-[[(2R)-oxolan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-6-yl]oxypropan-2-ylcarbamic acid?
The canonical SMILES for 1-[2'-oxo-1'-[[(2R)-oxolan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-6-yl]oxypropan-2-ylcarbamic acid is CC(COc1ccc2c(c1)OCC21C(=O)N(C[C@H]2CCCO2)c2ccccc21)NC(=O)O.
What is the InChIKey of 1-[2'-oxo-1'-[[(2R)-oxolan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-6-yl]oxypropan-2-ylcarbamic acid?
The InChIKey is UWWIITARFDBOAL-JQOCKAFUSA-N. The full InChI is InChI=1S/C24H26N2O6/c1-15(25-23(28)29)13-31-16-8-9-19-21(11-16)32-14-24(19)18-6-2-3-7-20(18)26(22(24)27)12-17-5-4-10-30-17/h2-3,6-9,11,15,17,25H,4-5,10,12-14H2,1H3,(H,28,29)/t15?,17-,24?/m1/s1.
What are the key properties of 1-[2'-oxo-1'-[[(2R)-oxolan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-6-yl]oxypropan-2-ylcarbamic acid?
1-[2'-oxo-1'-[[(2R)-oxolan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-6-yl]oxypropan-2-ylcarbamic acid has a molecular weight of 438.48 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2'-oxo-1'-[[(2R)-oxolan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-6-yl]oxypropan-2-ylcarbamic acid is sourced from PubChem (CID 67356223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).