N,N-dimethyl-5-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]-2-(trifluoromethyl)furan-3-carboxamide

C25H19F3N2O6 — CID 59352465

IUPACN,N-dimethyl-5-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]-2-(trifluoromethyl)furan-3-carboxamide
SMILESCN(C)C(=O)c1cc(CN2C(=O)C3(COc4cc5c(cc43)OCO5)c3ccccc32)oc1C(F)(F)F
InChIInChI=1S/C25H19F3N2O6/c1-29(2)22(31)14-7-13(36-21(14)25(26,27)28)10-30-17-6-4-3-5-15(17)24(23(30)32)11-33-18-9-20-19(8-16(18)24)34-12-35-20/h3-9H,10-12H2,1-2H3
InChIKeyVPXNZRCICNZZAR-UHFFFAOYSA-N
MW500.43 g/mol
LogP3.95
Rot. Bonds3

About N,N-dimethyl-5-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]-2-(trifluoromethyl)furan-3-carboxamide

N,N-dimethyl-5-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]-2-(trifluoromethyl)furan-3-carboxamide (PubChem CID 59352465) has the molecular formula C25H19F3N2O6 and a molecular weight of 500.43 g/mol. Its IUPAC name is N,N-dimethyl-5-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]-2-(trifluoromethyl)furan-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-5-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]-2-(trifluoromethyl)furan-3-carboxamide
PubChem CID59352465
Molecular FormulaC25H19F3N2O6
Molecular Weight500.43 g/mol
Exact Mass500.12
IUPAC NameN,N-dimethyl-5-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]-2-(trifluoromethyl)furan-3-carboxamide
SMILESCN(C)C(=O)c1cc(CN2C(=O)C3(COc4cc5c(cc43)OCO5)c3ccccc32)oc1C(F)(F)F
InChIInChI=1S/C25H19F3N2O6/c1-29(2)22(31)14-7-13(36-21(14)25(26,27)28)10-30-17-6-4-3-5-15(17)24(23(30)32)11-33-18-9-20-19(8-16(18)24)34-12-35-20/h3-9H,10-12H2,1-2H3
InChIKeyVPXNZRCICNZZAR-UHFFFAOYSA-N
XLogP3.95
TPSA81.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.43
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 51357549
4-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]benzoyl chloride
CID 87087377
N-ethyl-2-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]benzamide
CID 66641924
1'-[[3-hydroxy-5-(trifluoromethyl)thiophen-2-yl]methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 59263511
N-methyl-2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)-N-phenylacetamide
CID 66642704
1'-(4,4,4-trifluorobutyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 66641983
N-(2,6-dimethylphenyl)-2-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]benzamide
CID 66642075
4'-methyl-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 59263526
N-ethyl-3-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]benzamide
CID 11998937
1'-(naphthalen-1-ylmethyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 66642072
1'-(thiophen-2-ylmethyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 59263336
1'-[[5-(2-chlorophenyl)furan-2-yl]methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 59263532

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]-2-(trifluoromethyl)furan-3-carboxamide?
The IUPAC name of N,N-dimethyl-5-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]-2-(trifluoromethyl)furan-3-carboxamide (CID 59352465) is N,N-dimethyl-5-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]-2-(trifluoromethyl)furan-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-5-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]-2-(trifluoromethyl)furan-3-carboxamide?
The canonical SMILES for N,N-dimethyl-5-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]-2-(trifluoromethyl)furan-3-carboxamide is CN(C)C(=O)c1cc(CN2C(=O)C3(COc4cc5c(cc43)OCO5)c3ccccc32)oc1C(F)(F)F.
What is the InChIKey of N,N-dimethyl-5-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]-2-(trifluoromethyl)furan-3-carboxamide?
The InChIKey is VPXNZRCICNZZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3N2O6/c1-29(2)22(31)14-7-13(36-21(14)25(26,27)28)10-30-17-6-4-3-5-15(17)24(23(30)32)11-33-18-9-20-19(8-16(18)24)34-12-35-20/h3-9H,10-12H2,1-2H3.
What are the key properties of N,N-dimethyl-5-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]-2-(trifluoromethyl)furan-3-carboxamide?
N,N-dimethyl-5-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]-2-(trifluoromethyl)furan-3-carboxamide has a molecular weight of 500.43 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]-2-(trifluoromethyl)furan-3-carboxamide is sourced from PubChem (CID 59352465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).