2-(1,3-dioxoisoindol-2-yl)-N-(4-hydroxycyclohexyl)acetamide

C16H18N2O4 — CID 2450176

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-(4-hydroxycyclohexyl)acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)NC1CCC(O)CC1
InChIInChI=1S/C16H18N2O4/c19-11-7-5-10(6-8-11)17-14(20)9-18-15(21)12-3-1-2-4-13(12)16(18)22/h1-4,10-11,19H,5-9H2,(H,17,20)
InChIKeyGVTMGNWHKUDLFJ-UHFFFAOYSA-N
MW302.33 g/mol
LogP0.70
Rot. Bonds3

About 2-(1,3-dioxoisoindol-2-yl)-N-(4-hydroxycyclohexyl)acetamide

2-(1,3-dioxoisoindol-2-yl)-N-(4-hydroxycyclohexyl)acetamide (PubChem CID 2450176) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-(4-hydroxycyclohexyl)acetamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-(4-hydroxycyclohexyl)acetamide
PubChem CID2450176
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-(4-hydroxycyclohexyl)acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)NC1CCC(O)CC1
InChIInChI=1S/C16H18N2O4/c19-11-7-5-10(6-8-11)17-14(20)9-18-15(21)12-3-1-2-4-13(12)16(18)22/h1-4,10-11,19H,5-9H2,(H,17,20)
InChIKeyGVTMGNWHKUDLFJ-UHFFFAOYSA-N
XLogP0.70
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.70
H-Bond Donors ≤ 52
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 2-(1,3-dioxoisoindol-2-yl)-N-(4-hydroxycyclohexyl)acetamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(4-hydroxycyclohexyl)acetamide (CID 2450176) is 2-(1,3-dioxoisoindol-2-yl)-N-(4-hydroxycyclohexyl)acetamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-(4-hydroxycyclohexyl)acetamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-(4-hydroxycyclohexyl)acetamide is O=C(CN1C(=O)c2ccccc2C1=O)NC1CCC(O)CC1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-(4-hydroxycyclohexyl)acetamide?
The InChIKey is GVTMGNWHKUDLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c19-11-7-5-10(6-8-11)17-14(20)9-18-15(21)12-3-1-2-4-13(12)16(18)22/h1-4,10-11,19H,5-9H2,(H,17,20).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-(4-hydroxycyclohexyl)acetamide?
2-(1,3-dioxoisoindol-2-yl)-N-(4-hydroxycyclohexyl)acetamide has a molecular weight of 302.33 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-(4-hydroxycyclohexyl)acetamide is sourced from PubChem (CID 2450176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).