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

C26H22N2O6 — CID 66641868

IUPACN-[(3-methoxyphenyl)methyl]-2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)acetamide
SMILESCOc1cccc(CNC(=O)CN2C(=O)C3(COc4cc5c(cc43)OCO5)c3ccccc32)c1
InChIInChI=1S/C26H22N2O6/c1-31-17-6-4-5-16(9-17)12-27-24(29)13-28-20-8-3-2-7-18(20)26(25(28)30)14-32-21-11-23-22(10-19(21)26)33-15-34-23/h2-11H,12-15H2,1H3,(H,27,29)
InChIKeyMOEVEQWYUIYURD-UHFFFAOYSA-N
MW458.47 g/mol
LogP2.77
Rot. Bonds5

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

N-[(3-methoxyphenyl)methyl]-2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)acetamide (PubChem CID 66641868) has the molecular formula C26H22N2O6 and a molecular weight of 458.47 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)acetamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)acetamide
PubChem CID66641868
Molecular FormulaC26H22N2O6
Molecular Weight458.47 g/mol
Exact Mass458.15
IUPAC NameN-[(3-methoxyphenyl)methyl]-2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)acetamide
SMILESCOc1cccc(CNC(=O)CN2C(=O)C3(COc4cc5c(cc43)OCO5)c3ccccc32)c1
InChIInChI=1S/C26H22N2O6/c1-31-17-6-4-5-16(9-17)12-27-24(29)13-28-20-8-3-2-7-18(20)26(25(28)30)14-32-21-11-23-22(10-19(21)26)33-15-34-23/h2-11H,12-15H2,1H3,(H,27,29)
InChIKeyMOEVEQWYUIYURD-UHFFFAOYSA-N
XLogP2.77
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.47
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methoxyphenyl)-2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)acetamide
CID 66641841
N-[(4-methoxyphenyl)methyl]-2-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]benzamide
CID 66642010
N-(2,6-dimethylphenyl)-2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)acetamide
CID 11998201
2-(3,3-dimethyl-2-oxoindol-1-yl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 22583355
N-methyl-2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)-N-phenylacetamide
CID 66642704
N-ethyl-3-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]benzamide
CID 11998937
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-(3-cyanophenyl)-2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)acetamide
CID 66641911
1'-(naphthalen-1-ylmethyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 66642072
1-[2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 66642498
N-hexyl-3-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]benzamide
CID 66641996
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-[(3-methoxyphenyl)methyl]-2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)acetamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)acetamide (CID 66641868) is N-[(3-methoxyphenyl)methyl]-2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)acetamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)acetamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)acetamide is COc1cccc(CNC(=O)CN2C(=O)C3(COc4cc5c(cc43)OCO5)c3ccccc32)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)acetamide?
The InChIKey is MOEVEQWYUIYURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O6/c1-31-17-6-4-5-16(9-17)12-27-24(29)13-28-20-8-3-2-7-18(20)26(25(28)30)14-32-21-11-23-22(10-19(21)26)33-15-34-23/h2-11H,12-15H2,1H3,(H,27,29).
What are the key properties of N-[(3-methoxyphenyl)methyl]-2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)acetamide?
N-[(3-methoxyphenyl)methyl]-2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)acetamide has a molecular weight of 458.47 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)acetamide is sourced from PubChem (CID 66641868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).