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

C23H24N2O3 — CID 2233887

IUPACN-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O
InChIInChI=1S/C23H24N2O3/c26-21(14-11-16-7-3-1-4-8-16)24-17-12-13-19-20(15-17)23(28)25(22(19)27)18-9-5-2-6-10-18/h1,3-4,7-8,12-13,15,18H,2,5-6,9-11,14H2,(H,24,26)
InChIKeyPURQPXAAWMERPR-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.19
Rot. Bonds5

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

N-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-3-phenylpropanamide (PubChem CID 2233887) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-3-phenylpropanamide
PubChem CID2233887
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC NameN-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O
InChIInChI=1S/C23H24N2O3/c26-21(14-11-16-7-3-1-4-8-16)24-17-12-13-19-20(15-17)23(28)25(22(19)27)18-9-5-2-6-10-18/h1,3-4,7-8,12-13,15,18H,2,5-6,9-11,14H2,(H,24,26)
InChIKeyPURQPXAAWMERPR-UHFFFAOYSA-N
XLogP4.19
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Mozavaptan
CID 119369
N-Phenylphthalimide
CID 68215
4,5-Dianilinophthalimide
CID 1697
4-Aminophthalimide
CID 72915
(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-1H-indol-2-one
CID 6450842
2,3-Dihydro-2-phenyl-1H-isoindol-1-one
CID 97035
5-amino-2-methyl-2,3-dihydro-1H-isoindole-1,3-dione
CID 726931
2-(1,3-Dioxo-1,3-dihydro-isoindol-2-YL)-N-P-tolyl-acetamide
CID 344672
3-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-N-o-tolyl-propionamide
CID 721309
Cgp53353
CID 6711154
5-Amino-2-{4-[(4-aminophenyl)sulfanyl]phenyl}-1H-isoindole-1,3(2H)-dione
CID 1202104
SF-51
CID 1219451

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-3-phenylpropanamide?
The IUPAC name of N-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-3-phenylpropanamide (CID 2233887) is N-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-3-phenylpropanamide.
What is the SMILES notation for N-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-3-phenylpropanamide?
The canonical SMILES for N-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-3-phenylpropanamide is O=C(CCc1ccccc1)Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O.
What is the InChIKey of N-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-3-phenylpropanamide?
The InChIKey is PURQPXAAWMERPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c26-21(14-11-16-7-3-1-4-8-16)24-17-12-13-19-20(15-17)23(28)25(22(19)27)18-9-5-2-6-10-18/h1,3-4,7-8,12-13,15,18H,2,5-6,9-11,14H2,(H,24,26).
What are the key properties of N-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-3-phenylpropanamide?
N-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-3-phenylpropanamide has a molecular weight of 376.46 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-3-phenylpropanamide is sourced from PubChem (CID 2233887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).