N-(2-cyclohexyl-2-hydroxyethyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide

C14H22N2O4 — CID 71782113

IUPACN-(2-cyclohexyl-2-hydroxyethyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide
SMILESO=C(CN1C(=O)CCC1=O)NCC(O)C1CCCCC1
InChIInChI=1S/C14H22N2O4/c17-11(10-4-2-1-3-5-10)8-15-12(18)9-16-13(19)6-7-14(16)20/h10-11,17H,1-9H2,(H,15,18)
InChIKeyVSZRPASFBVJIRE-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.19
Rot. Bonds5

About N-(2-cyclohexyl-2-hydroxyethyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide

N-(2-cyclohexyl-2-hydroxyethyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide (PubChem CID 71782113) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-(2-cyclohexyl-2-hydroxyethyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-cyclohexyl-2-hydroxyethyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide
PubChem CID71782113
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC NameN-(2-cyclohexyl-2-hydroxyethyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide
SMILESO=C(CN1C(=O)CCC1=O)NCC(O)C1CCCCC1
InChIInChI=1S/C14H22N2O4/c17-11(10-4-2-1-3-5-10)8-15-12(18)9-16-13(19)6-7-14(16)20/h10-11,17H,1-9H2,(H,15,18)
InChIKeyVSZRPASFBVJIRE-UHFFFAOYSA-N
XLogP0.19
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.19
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 N-(2-cyclohexyl-2-hydroxyethyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide?
The IUPAC name of N-(2-cyclohexyl-2-hydroxyethyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide (CID 71782113) is N-(2-cyclohexyl-2-hydroxyethyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-(2-cyclohexyl-2-hydroxyethyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide?
The canonical SMILES for N-(2-cyclohexyl-2-hydroxyethyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide is O=C(CN1C(=O)CCC1=O)NCC(O)C1CCCCC1.
What is the InChIKey of N-(2-cyclohexyl-2-hydroxyethyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide?
The InChIKey is VSZRPASFBVJIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c17-11(10-4-2-1-3-5-10)8-15-12(18)9-16-13(19)6-7-14(16)20/h10-11,17H,1-9H2,(H,15,18).
What are the key properties of N-(2-cyclohexyl-2-hydroxyethyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide?
N-(2-cyclohexyl-2-hydroxyethyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide has a molecular weight of 282.34 g/mol, XLogP of 0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyl-2-hydroxyethyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide is sourced from PubChem (CID 71782113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).