N-(2-methoxyethyl)-4-[(2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-1'-yl)methyl]benzamide

C28H26N2O5 — CID 59352733

IUPACN-(2-methoxyethyl)-4-[(2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-1'-yl)methyl]benzamide
SMILESCOCCNC(=O)c1ccc(CN2C(=O)C3(COc4cc5c(cc43)CCO5)c3ccccc32)cc1
InChIInChI=1S/C28H26N2O5/c1-33-13-11-29-26(31)19-8-6-18(7-9-19)16-30-23-5-3-2-4-21(23)28(27(30)32)17-35-25-15-24-20(10-12-34-24)14-22(25)28/h2-9,14-15H,10-13,16-17H2,1H3,(H,29,31)
InChIKeyQYCLWUFZBNWVNR-UHFFFAOYSA-N
MW470.53 g/mol
LogP3.22
Rot. Bonds6

About N-(2-methoxyethyl)-4-[(2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-1'-yl)methyl]benzamide

N-(2-methoxyethyl)-4-[(2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-1'-yl)methyl]benzamide (PubChem CID 59352733) has the molecular formula C28H26N2O5 and a molecular weight of 470.53 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-[(2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-1'-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-[(2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-1'-yl)methyl]benzamide
PubChem CID59352733
Molecular FormulaC28H26N2O5
Molecular Weight470.53 g/mol
Exact Mass470.18
IUPAC NameN-(2-methoxyethyl)-4-[(2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-1'-yl)methyl]benzamide
SMILESCOCCNC(=O)c1ccc(CN2C(=O)C3(COc4cc5c(cc43)CCO5)c3ccccc32)cc1
InChIInChI=1S/C28H26N2O5/c1-33-13-11-29-26(31)19-8-6-18(7-9-19)16-30-23-5-3-2-4-21(23)28(27(30)32)17-35-25-15-24-20(10-12-34-24)14-22(25)28/h2-9,14-15H,10-13,16-17H2,1H3,(H,29,31)
InChIKeyQYCLWUFZBNWVNR-UHFFFAOYSA-N
XLogP3.22
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1'-[[4-[2-(2,4-dimethylphenyl)acetyl]phenyl]methyl]spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one
CID 162011273
3-[(2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-1'-yl)methyl]-N-(2-phenylpropyl)benzamide
CID 59352124
1'-[[4-(3-thiophen-2-ylpropanoyl)phenyl]methyl]spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one
CID 153004893
2-(2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-1'-yl)acetic acid
CID 59263485
2-[3-[(2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-1'-yl)methyl]phenoxy]acetyl chloride
CID 87100165
4-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]benzoyl chloride
CID 87087377
methyl 5-[(2'-oxospiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-1'-yl)methyl]furan-2-carboxylate
CID 59352736
1'-(3-aminopropyl)spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one
CID 59352498
1'-(pyrazin-2-ylmethyl)spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one
CID 59352151
1'-[(3,5-dimethoxyphenyl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one
CID 59352709
N-[2-(4-chlorophenyl)ethyl]-3-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]benzamide
CID 66642087
2-[3-(2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-1'-yl)propyl]isoindole-1,3-dione
CID 59352544

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-[(2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-1'-yl)methyl]benzamide?
The IUPAC name of N-(2-methoxyethyl)-4-[(2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-1'-yl)methyl]benzamide (CID 59352733) is N-(2-methoxyethyl)-4-[(2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-1'-yl)methyl]benzamide.
What is the SMILES notation for N-(2-methoxyethyl)-4-[(2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-1'-yl)methyl]benzamide?
The canonical SMILES for N-(2-methoxyethyl)-4-[(2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-1'-yl)methyl]benzamide is COCCNC(=O)c1ccc(CN2C(=O)C3(COc4cc5c(cc43)CCO5)c3ccccc32)cc1.
What is the InChIKey of N-(2-methoxyethyl)-4-[(2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-1'-yl)methyl]benzamide?
The InChIKey is QYCLWUFZBNWVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O5/c1-33-13-11-29-26(31)19-8-6-18(7-9-19)16-30-23-5-3-2-4-21(23)28(27(30)32)17-35-25-15-24-20(10-12-34-24)14-22(25)28/h2-9,14-15H,10-13,16-17H2,1H3,(H,29,31).
What are the key properties of N-(2-methoxyethyl)-4-[(2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-1'-yl)methyl]benzamide?
N-(2-methoxyethyl)-4-[(2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-1'-yl)methyl]benzamide has a molecular weight of 470.53 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-[(2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-1'-yl)methyl]benzamide is sourced from PubChem (CID 59352733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).