2-(4-hydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-N-propan-2-ylacetamide

C13H20N2O2 — CID 83208178

IUPAC2-(4-hydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1cc2c(c1)C(O)CCC2
InChIInChI=1S/C13H20N2O2/c1-9(2)14-13(17)8-15-6-10-4-3-5-12(16)11(10)7-15/h6-7,9,12,16H,3-5,8H2,1-2H3,(H,14,17)
InChIKeySBAGAIGMMZIFHH-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.38
Rot. Bonds3

About 2-(4-hydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-N-propan-2-ylacetamide

2-(4-hydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-N-propan-2-ylacetamide (PubChem CID 83208178) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(4-hydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(4-hydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-N-propan-2-ylacetamide
PubChem CID83208178
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-(4-hydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1cc2c(c1)C(O)CCC2
InChIInChI=1S/C13H20N2O2/c1-9(2)14-13(17)8-15-6-10-4-3-5-12(16)11(10)7-15/h6-7,9,12,16H,3-5,8H2,1-2H3,(H,14,17)
InChIKeySBAGAIGMMZIFHH-UHFFFAOYSA-N
XLogP1.38
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(4-hydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-N-propan-2-ylacetamide (CID 83208178) is 2-(4-hydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(4-hydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(4-hydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-N-propan-2-ylacetamide is CC(C)NC(=O)Cn1cc2c(c1)C(O)CCC2.
What is the InChIKey of 2-(4-hydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-N-propan-2-ylacetamide?
The InChIKey is SBAGAIGMMZIFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9(2)14-13(17)8-15-6-10-4-3-5-12(16)11(10)7-15/h6-7,9,12,16H,3-5,8H2,1-2H3,(H,14,17).
What are the key properties of 2-(4-hydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-N-propan-2-ylacetamide?
2-(4-hydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-N-propan-2-ylacetamide has a molecular weight of 236.31 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 83208178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).