3-(2,5-dioxopyrrolidin-1-yl)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]propanamide

C15H24N2O4 — CID 65124105

IUPAC3-(2,5-dioxopyrrolidin-1-yl)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]propanamide
SMILESCC1CCCC(O)(CNC(=O)CCN2C(=O)CCC2=O)C1
InChIInChI=1S/C15H24N2O4/c1-11-3-2-7-15(21,9-11)10-16-12(18)6-8-17-13(19)4-5-14(17)20/h11,21H,2-10H2,1H3,(H,16,18)
InChIKeyUETRGXDBGVHVGW-UHFFFAOYSA-N
MW296.37 g/mol
LogP0.58
Rot. Bonds5

About 3-(2,5-dioxopyrrolidin-1-yl)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]propanamide

3-(2,5-dioxopyrrolidin-1-yl)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]propanamide (PubChem CID 65124105) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrolidin-1-yl)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrolidin-1-yl)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]propanamide
PubChem CID65124105
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name3-(2,5-dioxopyrrolidin-1-yl)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]propanamide
SMILESCC1CCCC(O)(CNC(=O)CCN2C(=O)CCC2=O)C1
InChIInChI=1S/C15H24N2O4/c1-11-3-2-7-15(21,9-11)10-16-12(18)6-8-17-13(19)4-5-14(17)20/h11,21H,2-10H2,1H3,(H,16,18)
InChIKeyUETRGXDBGVHVGW-UHFFFAOYSA-N
XLogP0.58
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.58
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 3-(2,5-dioxopyrrolidin-1-yl)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]propanamide?
The IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]propanamide (CID 65124105) is 3-(2,5-dioxopyrrolidin-1-yl)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]propanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrolidin-1-yl)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]propanamide?
The canonical SMILES for 3-(2,5-dioxopyrrolidin-1-yl)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]propanamide is CC1CCCC(O)(CNC(=O)CCN2C(=O)CCC2=O)C1.
What is the InChIKey of 3-(2,5-dioxopyrrolidin-1-yl)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]propanamide?
The InChIKey is UETRGXDBGVHVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-11-3-2-7-15(21,9-11)10-16-12(18)6-8-17-13(19)4-5-14(17)20/h11,21H,2-10H2,1H3,(H,16,18).
What are the key properties of 3-(2,5-dioxopyrrolidin-1-yl)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]propanamide?
3-(2,5-dioxopyrrolidin-1-yl)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]propanamide has a molecular weight of 296.37 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrolidin-1-yl)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]propanamide is sourced from PubChem (CID 65124105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).