2-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)-N-(2-propan-2-ylcyclohexyl)acetamide

C19H28N2O3 — CID 24869371

IUPAC2-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)-N-(2-propan-2-ylcyclohexyl)acetamide
SMILESCC(C)C1CCCCC1NC(=O)CN1C(=O)C2=C(CCCC2)C1=O
InChIInChI=1S/C19H28N2O3/c1-12(2)13-7-5-6-10-16(13)20-17(22)11-21-18(23)14-8-3-4-9-15(14)19(21)24/h12-13,16H,3-11H2,1-2H3,(H,20,22)
InChIKeyFZRGIBJMPNOKSL-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.56
Rot. Bonds4

About 2-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)-N-(2-propan-2-ylcyclohexyl)acetamide

2-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)-N-(2-propan-2-ylcyclohexyl)acetamide (PubChem CID 24869371) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 2-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)-N-(2-propan-2-ylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)-N-(2-propan-2-ylcyclohexyl)acetamide
PubChem CID24869371
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name2-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)-N-(2-propan-2-ylcyclohexyl)acetamide
SMILESCC(C)C1CCCCC1NC(=O)CN1C(=O)C2=C(CCCC2)C1=O
InChIInChI=1S/C19H28N2O3/c1-12(2)13-7-5-6-10-16(13)20-17(22)11-21-18(23)14-8-3-4-9-15(14)19(21)24/h12-13,16H,3-11H2,1-2H3,(H,20,22)
InChIKeyFZRGIBJMPNOKSL-UHFFFAOYSA-N
XLogP2.56
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.56
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

2-(1,3-dioxoisoindol-2-yl)-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 7777606
N-(2-propan-2-ylcyclohexyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958094
2-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 11919445
methyl 2-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)acetate
CID 7353834
N-[(1R,2S)-2-methylcyclohexyl]-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 7756880
2-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]acetamide
CID 124729977
1-butyl-3-(2-propan-2-ylcyclohexyl)urea
CID 115610978
N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 11920002
N-cyclopentyl-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 7975978
cis-methyl (1R,2S)-2-[[2-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]acetyl]amino]cyclopentane-1-carboxylate
CID 99774436
2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(2-methylpiperidin-3-yl)acetamide
CID 120574425
2,6-dihydroxy-N-(2-propan-2-ylcyclohexyl)benzamide
CID 107689521

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)-N-(2-propan-2-ylcyclohexyl)acetamide?
The IUPAC name of 2-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)-N-(2-propan-2-ylcyclohexyl)acetamide (CID 24869371) is 2-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)-N-(2-propan-2-ylcyclohexyl)acetamide.
What is the SMILES notation for 2-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)-N-(2-propan-2-ylcyclohexyl)acetamide?
The canonical SMILES for 2-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)-N-(2-propan-2-ylcyclohexyl)acetamide is CC(C)C1CCCCC1NC(=O)CN1C(=O)C2=C(CCCC2)C1=O.
What is the InChIKey of 2-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)-N-(2-propan-2-ylcyclohexyl)acetamide?
The InChIKey is FZRGIBJMPNOKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-12(2)13-7-5-6-10-16(13)20-17(22)11-21-18(23)14-8-3-4-9-15(14)19(21)24/h12-13,16H,3-11H2,1-2H3,(H,20,22).
What are the key properties of 2-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)-N-(2-propan-2-ylcyclohexyl)acetamide?
2-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)-N-(2-propan-2-ylcyclohexyl)acetamide has a molecular weight of 332.44 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)-N-(2-propan-2-ylcyclohexyl)acetamide is sourced from PubChem (CID 24869371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).