N-(1'-methyl-2'-oxospiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-4'-yl)cyclopentanecarboxamide

C24H24N2O5 — CID 59352702

IUPACN-(1'-methyl-2'-oxospiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-4'-yl)cyclopentanecarboxamide
SMILESCN1C(=O)C2(COc3cc4c(cc32)OCCO4)c2c(NC(=O)C3CCCC3)cccc21
InChIInChI=1S/C24H24N2O5/c1-26-17-8-4-7-16(25-22(27)14-5-2-3-6-14)21(17)24(23(26)28)13-31-18-12-20-19(11-15(18)24)29-9-10-30-20/h4,7-8,11-12,14H,2-3,5-6,9-10,13H2,1H3,(H,25,27)
InChIKeyYIPAMHQSAPZMJZ-UHFFFAOYSA-N
MW420.47 g/mol
LogP3.24
Rot. Bonds2

About N-(1'-methyl-2'-oxospiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-4'-yl)cyclopentanecarboxamide

N-(1'-methyl-2'-oxospiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-4'-yl)cyclopentanecarboxamide (PubChem CID 59352702) has the molecular formula C24H24N2O5 and a molecular weight of 420.47 g/mol. Its IUPAC name is N-(1'-methyl-2'-oxospiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-4'-yl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(1'-methyl-2'-oxospiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-4'-yl)cyclopentanecarboxamide
PubChem CID59352702
Molecular FormulaC24H24N2O5
Molecular Weight420.47 g/mol
Exact Mass420.17
IUPAC NameN-(1'-methyl-2'-oxospiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-4'-yl)cyclopentanecarboxamide
SMILESCN1C(=O)C2(COc3cc4c(cc32)OCCO4)c2c(NC(=O)C3CCCC3)cccc21
InChIInChI=1S/C24H24N2O5/c1-26-17-8-4-7-16(25-22(27)14-5-2-3-6-14)21(17)24(23(26)28)13-31-18-12-20-19(11-15(18)24)29-9-10-30-20/h4,7-8,11-12,14H,2-3,5-6,9-10,13H2,1H3,(H,25,27)
InChIKeyYIPAMHQSAPZMJZ-UHFFFAOYSA-N
XLogP3.24
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1'-methyl-2'-oxospiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-4'-yl)cyclopentanecarboxamide?
The IUPAC name of N-(1'-methyl-2'-oxospiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-4'-yl)cyclopentanecarboxamide (CID 59352702) is N-(1'-methyl-2'-oxospiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-4'-yl)cyclopentanecarboxamide.
What is the SMILES notation for N-(1'-methyl-2'-oxospiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-4'-yl)cyclopentanecarboxamide?
The canonical SMILES for N-(1'-methyl-2'-oxospiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-4'-yl)cyclopentanecarboxamide is CN1C(=O)C2(COc3cc4c(cc32)OCCO4)c2c(NC(=O)C3CCCC3)cccc21.
What is the InChIKey of N-(1'-methyl-2'-oxospiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-4'-yl)cyclopentanecarboxamide?
The InChIKey is YIPAMHQSAPZMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O5/c1-26-17-8-4-7-16(25-22(27)14-5-2-3-6-14)21(17)24(23(26)28)13-31-18-12-20-19(11-15(18)24)29-9-10-30-20/h4,7-8,11-12,14H,2-3,5-6,9-10,13H2,1H3,(H,25,27).
What are the key properties of N-(1'-methyl-2'-oxospiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-4'-yl)cyclopentanecarboxamide?
N-(1'-methyl-2'-oxospiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-4'-yl)cyclopentanecarboxamide has a molecular weight of 420.47 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1'-methyl-2'-oxospiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-4'-yl)cyclopentanecarboxamide is sourced from PubChem (CID 59352702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).