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

C25H26N2O5 — CID 66642533

IUPACN-[3-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)propyl]cyclopentanecarboxamide
SMILESO=C(NCCCN1C(=O)C2(COc3cc4c(cc32)OCO4)c2ccccc21)C1CCCC1
InChIInChI=1S/C25H26N2O5/c28-23(16-6-1-2-7-16)26-10-5-11-27-19-9-4-3-8-17(19)25(24(27)29)14-30-20-13-22-21(12-18(20)25)31-15-32-22/h3-4,8-9,12-13,16H,1-2,5-7,10-11,14-15H2,(H,26,28)
InChIKeyTXRHSKQPBPLKIR-UHFFFAOYSA-N
MW434.49 g/mol
LogP3.14
Rot. Bonds5

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

N-[3-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)propyl]cyclopentanecarboxamide (PubChem CID 66642533) has the molecular formula C25H26N2O5 and a molecular weight of 434.49 g/mol. Its IUPAC name is N-[3-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)propyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[3-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)propyl]cyclopentanecarboxamide
PubChem CID66642533
Molecular FormulaC25H26N2O5
Molecular Weight434.49 g/mol
Exact Mass434.18
IUPAC NameN-[3-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)propyl]cyclopentanecarboxamide
SMILESO=C(NCCCN1C(=O)C2(COc3cc4c(cc32)OCO4)c2ccccc21)C1CCCC1
InChIInChI=1S/C25H26N2O5/c28-23(16-6-1-2-7-16)26-10-5-11-27-19-9-4-3-8-17(19)25(24(27)29)14-30-20-13-22-21(12-18(20)25)31-15-32-22/h3-4,8-9,12-13,16H,1-2,5-7,10-11,14-15H2,(H,26,28)
InChIKeyTXRHSKQPBPLKIR-UHFFFAOYSA-N
XLogP3.14
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.49
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 N-[3-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)propyl]cyclopentanecarboxamide?
The IUPAC name of N-[3-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)propyl]cyclopentanecarboxamide (CID 66642533) is N-[3-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)propyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[3-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)propyl]cyclopentanecarboxamide?
The canonical SMILES for N-[3-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)propyl]cyclopentanecarboxamide is O=C(NCCCN1C(=O)C2(COc3cc4c(cc32)OCO4)c2ccccc21)C1CCCC1.
What is the InChIKey of N-[3-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)propyl]cyclopentanecarboxamide?
The InChIKey is TXRHSKQPBPLKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O5/c28-23(16-6-1-2-7-16)26-10-5-11-27-19-9-4-3-8-17(19)25(24(27)29)14-30-20-13-22-21(12-18(20)25)31-15-32-22/h3-4,8-9,12-13,16H,1-2,5-7,10-11,14-15H2,(H,26,28).
What are the key properties of N-[3-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)propyl]cyclopentanecarboxamide?
N-[3-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)propyl]cyclopentanecarboxamide has a molecular weight of 434.49 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)propyl]cyclopentanecarboxamide is sourced from PubChem (CID 66642533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).