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

C25H20N2O5 — CID 66642704

IUPACN-methyl-2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)-N-phenylacetamide
SMILESCN(C(=O)CN1C(=O)C2(COc3cc4c(cc32)OCO4)c2ccccc21)c1ccccc1
InChIInChI=1S/C25H20N2O5/c1-26(16-7-3-2-4-8-16)23(28)13-27-19-10-6-5-9-17(19)25(24(27)29)14-30-20-12-22-21(11-18(20)25)31-15-32-22/h2-12H,13-15H2,1H3
InChIKeySTOKLCVDTRXYDG-UHFFFAOYSA-N
MW428.44 g/mol
LogP3.10
Rot. Bonds3

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

N-methyl-2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)-N-phenylacetamide (PubChem CID 66642704) has the molecular formula C25H20N2O5 and a molecular weight of 428.44 g/mol. Its IUPAC name is N-methyl-2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)-N-phenylacetamide.

Molecular Properties

Compound NameN-methyl-2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)-N-phenylacetamide
PubChem CID66642704
Molecular FormulaC25H20N2O5
Molecular Weight428.44 g/mol
Exact Mass428.14
IUPAC NameN-methyl-2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)-N-phenylacetamide
SMILESCN(C(=O)CN1C(=O)C2(COc3cc4c(cc32)OCO4)c2ccccc21)c1ccccc1
InChIInChI=1S/C25H20N2O5/c1-26(16-7-3-2-4-8-16)23(28)13-27-19-10-6-5-9-17(19)25(24(27)29)14-30-20-12-22-21(11-18(20)25)31-15-32-22/h2-12H,13-15H2,1H3
InChIKeySTOKLCVDTRXYDG-UHFFFAOYSA-N
XLogP3.10
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.44
LogP ≤ 53.10
H-Bond Donors ≤ 50
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)acetamide
CID 11998201
4-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]benzoyl chloride
CID 87087377
N-(3-methoxyphenyl)-2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)acetamide
CID 66641841
N-[(3-methoxyphenyl)methyl]-2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)acetamide
CID 66641868
N-ethyl-2-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]benzamide
CID 66641924
1'-(thiophen-2-ylmethyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 59263336
2-(2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-1'-yl)acetic acid
CID 59263485
1'-(naphthalen-1-ylmethyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 66642072
N-[3-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)propyl]heptanamide
CID 66642249
N-(3-cyanophenyl)-2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)acetamide
CID 66641911
1'-(4,4,4-trifluorobutyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 66641983
4-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)butanenitrile
CID 66642446

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)-N-phenylacetamide?
The IUPAC name of N-methyl-2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)-N-phenylacetamide (CID 66642704) is N-methyl-2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)-N-phenylacetamide.
What is the SMILES notation for N-methyl-2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)-N-phenylacetamide?
The canonical SMILES for N-methyl-2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)-N-phenylacetamide is CN(C(=O)CN1C(=O)C2(COc3cc4c(cc32)OCO4)c2ccccc21)c1ccccc1.
What is the InChIKey of N-methyl-2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)-N-phenylacetamide?
The InChIKey is STOKLCVDTRXYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O5/c1-26(16-7-3-2-4-8-16)23(28)13-27-19-10-6-5-9-17(19)25(24(27)29)14-30-20-12-22-21(11-18(20)25)31-15-32-22/h2-12H,13-15H2,1H3.
What are the key properties of N-methyl-2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)-N-phenylacetamide?
N-methyl-2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)-N-phenylacetamide has a molecular weight of 428.44 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)-N-phenylacetamide is sourced from PubChem (CID 66642704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).