N-(4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-6-oxopyran-3-carboxamide

C24H21NO6 — CID 138660855

IUPACN-(4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-6-oxopyran-3-carboxamide
SMILESCC(C)c1ccc2c(c1)OC1(O)C3=CCCC=C3C(=O)C21NC(=O)c1ccc(=O)oc1
InChIInChI=1S/C24H21NO6/c1-13(2)14-7-9-18-19(11-14)31-24(29)17-6-4-3-5-16(17)21(27)23(18,24)25-22(28)15-8-10-20(26)30-12-15/h5-13,29H,3-4H2,1-2H3,(H,25,28)
InChIKeyODNOHSXNJIIURD-UHFFFAOYSA-N
MW419.43 g/mol
LogP2.70
Rot. Bonds3

About N-(4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-6-oxopyran-3-carboxamide

N-(4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-6-oxopyran-3-carboxamide (PubChem CID 138660855) has the molecular formula C24H21NO6 and a molecular weight of 419.43 g/mol. Its IUPAC name is N-(4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-6-oxopyran-3-carboxamide.

Molecular Properties

Compound NameN-(4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-6-oxopyran-3-carboxamide
PubChem CID138660855
Molecular FormulaC24H21NO6
Molecular Weight419.43 g/mol
Exact Mass419.14
IUPAC NameN-(4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-6-oxopyran-3-carboxamide
SMILESCC(C)c1ccc2c(c1)OC1(O)C3=CCCC=C3C(=O)C21NC(=O)c1ccc(=O)oc1
InChIInChI=1S/C24H21NO6/c1-13(2)14-7-9-18-19(11-14)31-24(29)17-6-4-3-5-16(17)21(27)23(18,24)25-22(28)15-8-10-20(26)30-12-15/h5-13,29H,3-4H2,1-2H3,(H,25,28)
InChIKeyODNOHSXNJIIURD-UHFFFAOYSA-N
XLogP2.70
TPSA105.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.43
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-6-oxopyran-3-carboxamide with MolForge

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Related Compounds

N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-3,5-dimethylbenzamide
CID 138660843
N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)pyridazine-4-carboxamide
CID 138661020
N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-5-hydroxypyridine-3-carboxamide
CID 138662076
(6Z)-1-amino-N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-6-hydrazinylidenepyridine-3-carboxamide
CID 138660585
N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-1,2-dihydroindeno[1,2-b][1]benzofuran-9b-yl)indolizine-2-carboxamide
CID 122603393
N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-1,2-dihydroindeno[1,2-b][1]benzofuran-9b-yl)pyridine-4-carboxamide
CID 122592610
N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-1H-benzimidazole-2-carboxamide
CID 138662082
N-(4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)thiophene-2-carboxamide
CID 90097621
N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-1,2-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-2-methylpyridine-4-carboxamide
CID 122603339
N-(4b-hydroxy-4-nitro-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)naphthalene-2-carboxamide
CID 86716918
methyl N-[(4bS,9bS)-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl]carbamate
CID 140639208
1-[(4bS,9bS)-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl]-3-ethylurea
CID 90097606

Frequently Asked Questions

What is the IUPAC name of N-(4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-6-oxopyran-3-carboxamide?
The IUPAC name of N-(4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-6-oxopyran-3-carboxamide (CID 138660855) is N-(4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-6-oxopyran-3-carboxamide.
What is the SMILES notation for N-(4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-6-oxopyran-3-carboxamide?
The canonical SMILES for N-(4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-6-oxopyran-3-carboxamide is CC(C)c1ccc2c(c1)OC1(O)C3=CCCC=C3C(=O)C21NC(=O)c1ccc(=O)oc1.
What is the InChIKey of N-(4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-6-oxopyran-3-carboxamide?
The InChIKey is ODNOHSXNJIIURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO6/c1-13(2)14-7-9-18-19(11-14)31-24(29)17-6-4-3-5-16(17)21(27)23(18,24)25-22(28)15-8-10-20(26)30-12-15/h5-13,29H,3-4H2,1-2H3,(H,25,28).
What are the key properties of N-(4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-6-oxopyran-3-carboxamide?
N-(4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-6-oxopyran-3-carboxamide has a molecular weight of 419.43 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-6-oxopyran-3-carboxamide is sourced from PubChem (CID 138660855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).