N-(2,6-dimethylphenyl)-2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)acetamide

C26H22N2O5 — CID 11998201

IUPACN-(2,6-dimethylphenyl)-2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)acetamide
SMILESCc1cccc(C)c1NC(=O)CN1C(=O)C2(COc3cc4c(cc32)OCO4)c2ccccc21
InChIInChI=1S/C26H22N2O5/c1-15-6-5-7-16(2)24(15)27-23(29)12-28-19-9-4-3-8-17(19)26(25(28)30)13-31-20-11-22-21(10-18(20)26)32-14-33-22/h3-11H,12-14H2,1-2H3,(H,27,29)
InChIKeySVGBEEYHMXMNST-UHFFFAOYSA-N
MW442.47 g/mol
LogP3.70
Rot. Bonds3

About N-(2,6-dimethylphenyl)-2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)acetamide

N-(2,6-dimethylphenyl)-2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)acetamide (PubChem CID 11998201) has the molecular formula C26H22N2O5 and a molecular weight of 442.47 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)acetamide
PubChem CID11998201
Molecular FormulaC26H22N2O5
Molecular Weight442.47 g/mol
Exact Mass442.15
IUPAC NameN-(2,6-dimethylphenyl)-2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)acetamide
SMILESCc1cccc(C)c1NC(=O)CN1C(=O)C2(COc3cc4c(cc32)OCO4)c2ccccc21
InChIInChI=1S/C26H22N2O5/c1-15-6-5-7-16(2)24(15)27-23(29)12-28-19-9-4-3-8-17(19)26(25(28)30)13-31-20-11-22-21(10-18(20)26)32-14-33-22/h3-11H,12-14H2,1-2H3,(H,27,29)
InChIKeySVGBEEYHMXMNST-UHFFFAOYSA-N
XLogP3.70
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.47
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,6-dimethylphenyl)-2-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]benzamide
CID 66642075
N-(3-methoxyphenyl)-2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)acetamide
CID 66641841
N-(3-cyanophenyl)-2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)acetamide
CID 66641911
N-methyl-2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)-N-phenylacetamide
CID 66642704
N-[(3-methoxyphenyl)methyl]-2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)acetamide
CID 66641868
N-(2-fluorophenyl)-2-(2'-oxospiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-1'-yl)acetamide
CID 59352416
1-(4-methylphenyl)-3-[2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)ethyl]urea
CID 66642741
N-[3-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)propyl]heptanamide
CID 66642249
N-ethyl-3-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]benzamide
CID 11998937
1'-[(6-methyl-3-pyridinyl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one;hydrochloride
CID 66642329
1'-(naphthalen-1-ylmethyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 66642072
N-ethyl-2-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]benzamide
CID 66641924

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)acetamide (CID 11998201) is N-(2,6-dimethylphenyl)-2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)acetamide is Cc1cccc(C)c1NC(=O)CN1C(=O)C2(COc3cc4c(cc32)OCO4)c2ccccc21.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)acetamide?
The InChIKey is SVGBEEYHMXMNST-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O5/c1-15-6-5-7-16(2)24(15)27-23(29)12-28-19-9-4-3-8-17(19)26(25(28)30)13-31-20-11-22-21(10-18(20)26)32-14-33-22/h3-11H,12-14H2,1-2H3,(H,27,29).
What are the key properties of N-(2,6-dimethylphenyl)-2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)acetamide?
N-(2,6-dimethylphenyl)-2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)acetamide has a molecular weight of 442.47 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)acetamide is sourced from PubChem (CID 11998201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).