N-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-2-ethoxybenzamide

C23H24N2O4 — CID 2233800

IUPACN-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O
InChIInChI=1S/C23H24N2O4/c1-2-29-20-11-7-6-10-18(20)21(26)24-15-12-13-17-19(14-15)23(28)25(22(17)27)16-8-4-3-5-9-16/h6-7,10-14,16H,2-5,8-9H2,1H3,(H,24,26)
InChIKeyVCGOKBWNWBBRJP-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.27
Rot. Bonds5

About N-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-2-ethoxybenzamide

N-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-2-ethoxybenzamide (PubChem CID 2233800) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-2-ethoxybenzamide.

Molecular Properties

Compound NameN-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-2-ethoxybenzamide
PubChem CID2233800
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC NameN-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O
InChIInChI=1S/C23H24N2O4/c1-2-29-20-11-7-6-10-18(20)21(26)24-15-12-13-17-19(14-15)23(28)25(22(17)27)16-8-4-3-5-9-16/h6-7,10-14,16H,2-5,8-9H2,1H3,(H,24,26)
InChIKeyVCGOKBWNWBBRJP-UHFFFAOYSA-N
XLogP4.27
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-2-ethoxybenzamide?
The IUPAC name of N-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-2-ethoxybenzamide (CID 2233800) is N-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-2-ethoxybenzamide.
What is the SMILES notation for N-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-2-ethoxybenzamide?
The canonical SMILES for N-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-2-ethoxybenzamide is CCOc1ccccc1C(=O)Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O.
What is the InChIKey of N-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-2-ethoxybenzamide?
The InChIKey is VCGOKBWNWBBRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-2-29-20-11-7-6-10-18(20)21(26)24-15-12-13-17-19(14-15)23(28)25(22(17)27)16-8-4-3-5-9-16/h6-7,10-14,16H,2-5,8-9H2,1H3,(H,24,26).
What are the key properties of N-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-2-ethoxybenzamide?
N-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-2-ethoxybenzamide has a molecular weight of 392.46 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-2-ethoxybenzamide is sourced from PubChem (CID 2233800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).