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

C16H18N2O3 — CID 1262881

IUPACN-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)acetamide
SMILESCC(=O)Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O
InChIInChI=1S/C16H18N2O3/c1-10(19)17-11-7-8-13-14(9-11)16(21)18(15(13)20)12-5-3-2-4-6-12/h7-9,12H,2-6H2,1H3,(H,17,19)
InChIKeyAYABLUNTCTZVKH-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.57
Rot. Bonds2

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

N-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)acetamide (PubChem CID 1262881) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)acetamide.

Molecular Properties

Compound NameN-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)acetamide
PubChem CID1262881
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)acetamide
SMILESCC(=O)Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O
InChIInChI=1S/C16H18N2O3/c1-10(19)17-11-7-8-13-14(9-11)16(21)18(15(13)20)12-5-3-2-4-6-12/h7-9,12H,2-6H2,1H3,(H,17,19)
InChIKeyAYABLUNTCTZVKH-UHFFFAOYSA-N
XLogP2.57
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)acetamide?
The IUPAC name of N-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)acetamide (CID 1262881) is N-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)acetamide.
What is the SMILES notation for N-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)acetamide?
The canonical SMILES for N-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)acetamide is CC(=O)Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O.
What is the InChIKey of N-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)acetamide?
The InChIKey is AYABLUNTCTZVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-10(19)17-11-7-8-13-14(9-11)16(21)18(15(13)20)12-5-3-2-4-6-12/h7-9,12H,2-6H2,1H3,(H,17,19).
What are the key properties of N-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)acetamide?
N-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)acetamide has a molecular weight of 286.33 g/mol, XLogP of 2.57, 2 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)acetamide is sourced from PubChem (CID 1262881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).