N-(1,3-benzodioxol-5-yl)-2-cyclohexyl-3-oxo-1H-isoindole-4-carboxamide

C22H22N2O4 — CID 3243353

IUPACN-(1,3-benzodioxol-5-yl)-2-cyclohexyl-3-oxo-1H-isoindole-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1cccc2c1C(=O)N(C1CCCCC1)C2
InChIInChI=1S/C22H22N2O4/c25-21(23-15-9-10-18-19(11-15)28-13-27-18)17-8-4-5-14-12-24(22(26)20(14)17)16-6-2-1-3-7-16/h4-5,8-11,16H,1-3,6-7,12-13H2,(H,23,25)
InChIKeyCIGNUCOKPNCDEQ-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.96
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-2-cyclohexyl-3-oxo-1H-isoindole-4-carboxamide

N-(1,3-benzodioxol-5-yl)-2-cyclohexyl-3-oxo-1H-isoindole-4-carboxamide (PubChem CID 3243353) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-cyclohexyl-3-oxo-1H-isoindole-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-cyclohexyl-3-oxo-1H-isoindole-4-carboxamide
PubChem CID3243353
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-cyclohexyl-3-oxo-1H-isoindole-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1cccc2c1C(=O)N(C1CCCCC1)C2
InChIInChI=1S/C22H22N2O4/c25-21(23-15-9-10-18-19(11-15)28-13-27-18)17-8-4-5-14-12-24(22(26)20(14)17)16-6-2-1-3-7-16/h4-5,8-11,16H,1-3,6-7,12-13H2,(H,23,25)
InChIKeyCIGNUCOKPNCDEQ-UHFFFAOYSA-N
XLogP3.96
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1,3-benzodioxol-5-yl)-2-cyclohexyl-3-oxo-1H-isoindole-4-carboxamide with MolForge

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Related Compounds

4-[[[2-(4-methoxyphenyl)-3-oxo-1H-isoindol-4-yl]-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester
CID 5307705
N-(2H-1,3-benzodioxol-5-yl)benzamide
CID 823562
2-(1,3-Benzodioxol-5-yl)-3-benzyl-3-hydroxy-1-isoindolinone
CID 2897943
1(3H)-Isobenzofuranone, 3-(1,3-benzodioxol-5-ylamino)-
CID 652596
N-(1,3-benzodioxol-5-yl)-2-methyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxamide
CID 2221614
N-(1,3-benzodioxol-5-yl)-3-butyl-4-oxophthalazine-1-carboxamide
CID 2409944
N-(1,3-benzodioxol-5-yl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 6497309
N-(1,3-benzodioxol-5-yl)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 6497655
N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-2-fluorobenzamide
CID 9442147
N-1,3-benzodioxol-5-yl-5-oxo-1-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-L-prolinamide
CID 16399116
N-Benzo[1,3]dioxol-5-yl-2-(2-oxo-2H-benzo[cd]indol-1-yl)-acetamide
CID 602757
N-(1,3-benzodioxol-5-yl)-2-methylbenzamide
CID 652863

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-cyclohexyl-3-oxo-1H-isoindole-4-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-cyclohexyl-3-oxo-1H-isoindole-4-carboxamide (CID 3243353) is N-(1,3-benzodioxol-5-yl)-2-cyclohexyl-3-oxo-1H-isoindole-4-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-cyclohexyl-3-oxo-1H-isoindole-4-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-cyclohexyl-3-oxo-1H-isoindole-4-carboxamide is O=C(Nc1ccc2c(c1)OCO2)c1cccc2c1C(=O)N(C1CCCCC1)C2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-cyclohexyl-3-oxo-1H-isoindole-4-carboxamide?
The InChIKey is CIGNUCOKPNCDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c25-21(23-15-9-10-18-19(11-15)28-13-27-18)17-8-4-5-14-12-24(22(26)20(14)17)16-6-2-1-3-7-16/h4-5,8-11,16H,1-3,6-7,12-13H2,(H,23,25).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-cyclohexyl-3-oxo-1H-isoindole-4-carboxamide?
N-(1,3-benzodioxol-5-yl)-2-cyclohexyl-3-oxo-1H-isoindole-4-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-cyclohexyl-3-oxo-1H-isoindole-4-carboxamide is sourced from PubChem (CID 3243353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).