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

C26H24N2O6 — CID 66642553

IUPAC2,5-dimethyl-N-[3-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)propyl]furan-3-carboxamide
SMILESCc1cc(C(=O)NCCCN2C(=O)C3(COc4cc5c(cc43)OCO5)c3ccccc32)c(C)o1
InChIInChI=1S/C26H24N2O6/c1-15-10-17(16(2)34-15)24(29)27-8-5-9-28-20-7-4-3-6-18(20)26(25(28)30)13-31-21-12-23-22(11-19(21)26)32-14-33-23/h3-4,6-7,10-12H,5,8-9,13-14H2,1-2H3,(H,27,29)
InChIKeyVORAQRQIXCJDIC-UHFFFAOYSA-N
MW460.49 g/mol
LogP3.47
Rot. Bonds5

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

2,5-dimethyl-N-[3-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)propyl]furan-3-carboxamide (PubChem CID 66642553) has the molecular formula C26H24N2O6 and a molecular weight of 460.49 g/mol. Its IUPAC name is 2,5-dimethyl-N-[3-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)propyl]furan-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[3-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)propyl]furan-3-carboxamide
PubChem CID66642553
Molecular FormulaC26H24N2O6
Molecular Weight460.49 g/mol
Exact Mass460.16
IUPAC Name2,5-dimethyl-N-[3-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)propyl]furan-3-carboxamide
SMILESCc1cc(C(=O)NCCCN2C(=O)C3(COc4cc5c(cc43)OCO5)c3ccccc32)c(C)o1
InChIInChI=1S/C26H24N2O6/c1-15-10-17(16(2)34-15)24(29)27-8-5-9-28-20-7-4-3-6-18(20)26(25(28)30)13-31-21-12-23-22(11-19(21)26)32-14-33-23/h3-4,6-7,10-12H,5,8-9,13-14H2,1-2H3,(H,27,29)
InChIKeyVORAQRQIXCJDIC-UHFFFAOYSA-N
XLogP3.47
TPSA90.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.49
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[3-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)propyl]furan-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[3-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)propyl]furan-3-carboxamide (CID 66642553) is 2,5-dimethyl-N-[3-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)propyl]furan-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[3-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)propyl]furan-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[3-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)propyl]furan-3-carboxamide is Cc1cc(C(=O)NCCCN2C(=O)C3(COc4cc5c(cc43)OCO5)c3ccccc32)c(C)o1.
What is the InChIKey of 2,5-dimethyl-N-[3-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)propyl]furan-3-carboxamide?
The InChIKey is VORAQRQIXCJDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O6/c1-15-10-17(16(2)34-15)24(29)27-8-5-9-28-20-7-4-3-6-18(20)26(25(28)30)13-31-21-12-23-22(11-19(21)26)32-14-33-23/h3-4,6-7,10-12H,5,8-9,13-14H2,1-2H3,(H,27,29).
What are the key properties of 2,5-dimethyl-N-[3-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)propyl]furan-3-carboxamide?
2,5-dimethyl-N-[3-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)propyl]furan-3-carboxamide has a molecular weight of 460.49 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[3-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)propyl]furan-3-carboxamide is sourced from PubChem (CID 66642553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).