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

C28H34N2O6 — CID 45280165

IUPAC1-[2'-oxo-1'-[[(2R)-oxolan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-6-yl]oxypropan-2-yl N-tert-butylcarbamate
SMILESCC(COc1ccc2c(c1)OCC21C(=O)N(C[C@H]2CCCO2)c2ccccc21)OC(=O)NC(C)(C)C
InChIInChI=1S/C28H34N2O6/c1-18(36-26(32)29-27(2,3)4)16-34-19-11-12-22-24(14-19)35-17-28(22)21-9-5-6-10-23(21)30(25(28)31)15-20-8-7-13-33-20/h5-6,9-12,14,18,20H,7-8,13,15-17H2,1-4H3,(H,29,32)/t18?,20-,28?/m1/s1
InChIKeyQZNSGXKSSOWMTP-PUQLMOQESA-N
MW494.59 g/mol
LogP4.18
Rot. Bonds6

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

1-[2'-oxo-1'-[[(2R)-oxolan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-6-yl]oxypropan-2-yl N-tert-butylcarbamate (PubChem CID 45280165) has the molecular formula C28H34N2O6 and a molecular weight of 494.59 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-yl N-tert-butylcarbamate.

Molecular Properties

Compound Name1-[2'-oxo-1'-[[(2R)-oxolan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-6-yl]oxypropan-2-yl N-tert-butylcarbamate
PubChem CID45280165
Molecular FormulaC28H34N2O6
Molecular Weight494.59 g/mol
Exact Mass494.24
IUPAC Name1-[2'-oxo-1'-[[(2R)-oxolan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-6-yl]oxypropan-2-yl N-tert-butylcarbamate
SMILESCC(COc1ccc2c(c1)OCC21C(=O)N(C[C@H]2CCCO2)c2ccccc21)OC(=O)NC(C)(C)C
InChIInChI=1S/C28H34N2O6/c1-18(36-26(32)29-27(2,3)4)16-34-19-11-12-22-24(14-19)35-17-28(22)21-9-5-6-10-23(21)30(25(28)31)15-20-8-7-13-33-20/h5-6,9-12,14,18,20H,7-8,13,15-17H2,1-4H3,(H,29,32)/t18?,20-,28?/m1/s1
InChIKeyQZNSGXKSSOWMTP-PUQLMOQESA-N
XLogP4.18
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.59
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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

Launch Full Analysis

Related Compounds

1-[2'-oxo-1'-[[(2R)-oxolan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-6-yl]oxypropan-2-ylcarbamic acid
CID 67356223
6-(2-aminopropoxy)-1'-[[(2R)-oxolan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one
CID 45280167
1'-[[(2R)-oxolan-2-yl]methyl]-6-[(3R)-pyrrolidin-3-yl]oxyspiro[2H-1-benzofuran-3,3'-indole]-2'-one
CID 59352565
1'-(oxolan-2-ylmethyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 66642705
4-methyl-1'-[[(2R)-oxolan-2-yl]methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzoxazine-8,3'-indole]-2'-one
CID 59352543
1'-[[(2R)-oxolan-2-yl]methyl]spiro[2,6-dihydrofuro[2,3-c]pyridine-3,3'-indole]-2',5-dione
CID 46832689
6-hydroxy-2'-oxo-1'-[[(2R)-oxolan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-5-carbonitrile
CID 67356544
tert-butyl 4-[(2'-oxospiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-1'-yl)methyl]piperidine-1-carboxylate
CID 59352597
1'-[(1-propan-2-ylpiperidin-4-yl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one;hydrochloride
CID 67357685
1'-(pyridin-2-ylmethyl)-6-(trifluoromethoxy)spiro[2H-1-benzofuran-3,3'-indole]-2'-one;hydrochloride
CID 66642616
ethane;2-(2'-oxospiro[2H-1-benzofuran-3,3'-indole]-1'-yl)acetamide
CID 91113408
2-[1'-[(2R)-oxolane-2-carbonyl]spiro[2H-1-benzofuran-3,3'-2H-indole]-6-yl]oxypropanoic acid
CID 45280221

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-yl N-tert-butylcarbamate?
The IUPAC name of 1-[2'-oxo-1'-[[(2R)-oxolan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-6-yl]oxypropan-2-yl N-tert-butylcarbamate (CID 45280165) is 1-[2'-oxo-1'-[[(2R)-oxolan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-6-yl]oxypropan-2-yl N-tert-butylcarbamate.
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-yl N-tert-butylcarbamate?
The canonical SMILES for 1-[2'-oxo-1'-[[(2R)-oxolan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-6-yl]oxypropan-2-yl N-tert-butylcarbamate is CC(COc1ccc2c(c1)OCC21C(=O)N(C[C@H]2CCCO2)c2ccccc21)OC(=O)NC(C)(C)C.
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-yl N-tert-butylcarbamate?
The InChIKey is QZNSGXKSSOWMTP-PUQLMOQESA-N. The full InChI is InChI=1S/C28H34N2O6/c1-18(36-26(32)29-27(2,3)4)16-34-19-11-12-22-24(14-19)35-17-28(22)21-9-5-6-10-23(21)30(25(28)31)15-20-8-7-13-33-20/h5-6,9-12,14,18,20H,7-8,13,15-17H2,1-4H3,(H,29,32)/t18?,20-,28?/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-yl N-tert-butylcarbamate?
1-[2'-oxo-1'-[[(2R)-oxolan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-6-yl]oxypropan-2-yl N-tert-butylcarbamate has a molecular weight of 494.59 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 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-yl N-tert-butylcarbamate is sourced from PubChem (CID 45280165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).