6-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-(4-hydroxy-2-methylbutan-2-yl)hexanamide

C18H32N2O4 — CID 171833915

IUPAC6-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-(4-hydroxy-2-methylbutan-2-yl)hexanamide
SMILESCC(C)C1CC(=O)N(CCCCCC(=O)NC(C)(C)CCO)C1=O
InChIInChI=1S/C18H32N2O4/c1-13(2)14-12-16(23)20(17(14)24)10-7-5-6-8-15(22)19-18(3,4)9-11-21/h13-14,21H,5-12H2,1-4H3,(H,19,22)
InChIKeyTYLYZPZBFSREFX-UHFFFAOYSA-N
MW340.46 g/mol
LogP1.86
Rot. Bonds10

About 6-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-(4-hydroxy-2-methylbutan-2-yl)hexanamide

6-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-(4-hydroxy-2-methylbutan-2-yl)hexanamide (PubChem CID 171833915) has the molecular formula C18H32N2O4 and a molecular weight of 340.46 g/mol. Its IUPAC name is 6-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-(4-hydroxy-2-methylbutan-2-yl)hexanamide.

Molecular Properties

Compound Name6-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-(4-hydroxy-2-methylbutan-2-yl)hexanamide
PubChem CID171833915
Molecular FormulaC18H32N2O4
Molecular Weight340.46 g/mol
Exact Mass340.24
IUPAC Name6-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-(4-hydroxy-2-methylbutan-2-yl)hexanamide
SMILESCC(C)C1CC(=O)N(CCCCCC(=O)NC(C)(C)CCO)C1=O
InChIInChI=1S/C18H32N2O4/c1-13(2)14-12-16(23)20(17(14)24)10-7-5-6-8-15(22)19-18(3,4)9-11-21/h13-14,21H,5-12H2,1-4H3,(H,19,22)
InChIKeyTYLYZPZBFSREFX-UHFFFAOYSA-N
XLogP1.86
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-(6,6-dimethyl-5-oxoheptyl)-3-propan-2-ylpyrrolidine-2,5-dione
CID 146228600
1-(7-methyl-6-oxooctyl)-3-propan-2-ylpyrrolidine-2,5-dione
CID 59713237
1-(5-oxohexyl)-3-propan-2-ylpyrrolidine-2,5-dione
CID 130267117
1-[4-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)butyl]-3-propan-2-ylpyrrolidine-2,5-dione;ethane
CID 164585932
3-[3-[3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanoylamino]-3-methylbutoxy]-3-methyl-N-propan-2-ylbutanamide
CID 164603100
18-[2-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)ethylamino]-18-oxooctadecanoic acid
CID 164802056
N-[2-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)ethyl]-7-methyloctanamide
CID 146319764
N-tert-butyl-6-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)hexanamide
CID 158085443
1-[5-[(3S)-3-methylpyrrolidin-1-yl]-5-oxopentyl]-3-propan-2-ylpyrrolidine-2,5-dione
CID 134403407
18-[[1-carboxy-9-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-4-oxononyl]amino]-2-(1-hydroxyethenyl)-18-oxooctadecanoic acid
CID 164985817
1-[(6R)-7-methyl-6-(trifluoromethyl)octyl]-3-propan-2-ylpyrrolidine-2,5-dione
CID 130232703
1-(5-methyl-3-oxohexyl)-3-propan-2-ylpyrrolidine-2,5-dione
CID 154612252

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-(4-hydroxy-2-methylbutan-2-yl)hexanamide?
The IUPAC name of 6-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-(4-hydroxy-2-methylbutan-2-yl)hexanamide (CID 171833915) is 6-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-(4-hydroxy-2-methylbutan-2-yl)hexanamide.
What is the SMILES notation for 6-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-(4-hydroxy-2-methylbutan-2-yl)hexanamide?
The canonical SMILES for 6-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-(4-hydroxy-2-methylbutan-2-yl)hexanamide is CC(C)C1CC(=O)N(CCCCCC(=O)NC(C)(C)CCO)C1=O.
What is the InChIKey of 6-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-(4-hydroxy-2-methylbutan-2-yl)hexanamide?
The InChIKey is TYLYZPZBFSREFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O4/c1-13(2)14-12-16(23)20(17(14)24)10-7-5-6-8-15(22)19-18(3,4)9-11-21/h13-14,21H,5-12H2,1-4H3,(H,19,22).
What are the key properties of 6-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-(4-hydroxy-2-methylbutan-2-yl)hexanamide?
6-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-(4-hydroxy-2-methylbutan-2-yl)hexanamide has a molecular weight of 340.46 g/mol, XLogP of 1.86, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-(4-hydroxy-2-methylbutan-2-yl)hexanamide is sourced from PubChem (CID 171833915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).