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

C23H24N2O4 — CID 5307936

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-cyclohexyl-3-oxo-1H-isoindole-4-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)c1cccc2c1C(=O)N(C1CCCCC1)C2
InChIInChI=1S/C23H24N2O4/c26-22(24-12-15-9-10-19-20(11-15)29-14-28-19)18-8-4-5-16-13-25(23(27)21(16)18)17-6-2-1-3-7-17/h4-5,8-11,17H,1-3,6-7,12-14H2,(H,24,26)
InChIKeyOLBYWCBYXZBFEE-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.63
Rot. Bonds4

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

N-(1,3-benzodioxol-5-ylmethyl)-2-cyclohexyl-3-oxo-1H-isoindole-4-carboxamide (PubChem CID 5307936) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-cyclohexyl-3-oxo-1H-isoindole-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-cyclohexyl-3-oxo-1H-isoindole-4-carboxamide
PubChem CID5307936
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-cyclohexyl-3-oxo-1H-isoindole-4-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)c1cccc2c1C(=O)N(C1CCCCC1)C2
InChIInChI=1S/C23H24N2O4/c26-22(24-12-15-9-10-19-20(11-15)29-14-28-19)18-8-4-5-16-13-25(23(27)21(16)18)17-6-2-1-3-7-17/h4-5,8-11,17H,1-3,6-7,12-14H2,(H,24,26)
InChIKeyOLBYWCBYXZBFEE-UHFFFAOYSA-N
XLogP3.63
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-cyclohexyl-3-oxo-1H-isoindole-4-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-cyclohexyl-3-oxo-1H-isoindole-4-carboxamide (CID 5307936) is N-(1,3-benzodioxol-5-ylmethyl)-2-cyclohexyl-3-oxo-1H-isoindole-4-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-cyclohexyl-3-oxo-1H-isoindole-4-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-cyclohexyl-3-oxo-1H-isoindole-4-carboxamide is O=C(NCc1ccc2c(c1)OCO2)c1cccc2c1C(=O)N(C1CCCCC1)C2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-cyclohexyl-3-oxo-1H-isoindole-4-carboxamide?
The InChIKey is OLBYWCBYXZBFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c26-22(24-12-15-9-10-19-20(11-15)29-14-28-19)18-8-4-5-16-13-25(23(27)21(16)18)17-6-2-1-3-7-17/h4-5,8-11,17H,1-3,6-7,12-14H2,(H,24,26).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-cyclohexyl-3-oxo-1H-isoindole-4-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-cyclohexyl-3-oxo-1H-isoindole-4-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 3.63, 4 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-ylmethyl)-2-cyclohexyl-3-oxo-1H-isoindole-4-carboxamide is sourced from PubChem (CID 5307936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).