6-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-N-(3-methyl-1-oxobutan-2-yl)hexanamide

C17H28N2O4 — CID 145323285

IUPAC6-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-N-(3-methyl-1-oxobutan-2-yl)hexanamide
SMILESCC(C)C(C=O)NC(=O)CCCCCN1C(=O)CC(C)(C)C1=O
InChIInChI=1S/C17H28N2O4/c1-12(2)13(11-20)18-14(21)8-6-5-7-9-19-15(22)10-17(3,4)16(19)23/h11-13H,5-10H2,1-4H3,(H,18,21)
InChIKeyGPCLLLBHTVENKW-UHFFFAOYSA-N
MW324.42 g/mol
LogP1.67
Rot. Bonds9

About 6-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-N-(3-methyl-1-oxobutan-2-yl)hexanamide

6-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-N-(3-methyl-1-oxobutan-2-yl)hexanamide (PubChem CID 145323285) has the molecular formula C17H28N2O4 and a molecular weight of 324.42 g/mol. Its IUPAC name is 6-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-N-(3-methyl-1-oxobutan-2-yl)hexanamide.

Molecular Properties

Compound Name6-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-N-(3-methyl-1-oxobutan-2-yl)hexanamide
PubChem CID145323285
Molecular FormulaC17H28N2O4
Molecular Weight324.42 g/mol
Exact Mass324.20
IUPAC Name6-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-N-(3-methyl-1-oxobutan-2-yl)hexanamide
SMILESCC(C)C(C=O)NC(=O)CCCCCN1C(=O)CC(C)(C)C1=O
InChIInChI=1S/C17H28N2O4/c1-12(2)13(11-20)18-14(21)8-6-5-7-9-19-15(22)10-17(3,4)16(19)23/h11-13H,5-10H2,1-4H3,(H,18,21)
InChIKeyGPCLLLBHTVENKW-UHFFFAOYSA-N
XLogP1.67
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(3,3-dimethyl-2,4-dioxoazetidin-1-yl)-N-(3-methyl-1-oxobutan-2-yl)hexanamide
CID 144706621
6-(2,5-dioxopyrrol-1-yl)-N-(3-methyl-1-oxobutan-2-yl)hexanamide
CID 123154320
5-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)pentanehydrazide
CID 65301201
3,3-dimethyl-1-(4-oxopentyl)pyrrolidine-2,5-dione
CID 65301376
N-(3-methyl-1-oxobutan-2-yl)hexadecanamide
CID 90757264
4-(4,4-dimethyl-2-oxo-3H-quinolin-1-yl)-N-propan-2-ylbutanamide
CID 91938678
5-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-methyl-2-(methylamino)pentanamide
CID 65301490
1-hex-5-ynyl-3,3-dimethylpyrrolidine-2,5-dione
CID 106209087
6-[(2-iodoacetyl)amino]-N-[(2S)-3-methyl-1-oxobutan-2-yl]hexanamide
CID 174947831
6-(2,5-dioxopyrrol-1-yl)-N-(3-methylbutan-2-yl)hexanamide;formic acid
CID 169179798
12-(3,3-dimethyl-5-methylidene-2,6-dioxopiperidin-1-yl)dodecanoic acid
CID 169291208
3,3-dimethyl-1-[2-(methylamino)ethyl]pyrrolidine-2,5-dione
CID 65297434

Frequently Asked Questions

What is the IUPAC name of 6-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-N-(3-methyl-1-oxobutan-2-yl)hexanamide?
The IUPAC name of 6-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-N-(3-methyl-1-oxobutan-2-yl)hexanamide (CID 145323285) is 6-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-N-(3-methyl-1-oxobutan-2-yl)hexanamide.
What is the SMILES notation for 6-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-N-(3-methyl-1-oxobutan-2-yl)hexanamide?
The canonical SMILES for 6-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-N-(3-methyl-1-oxobutan-2-yl)hexanamide is CC(C)C(C=O)NC(=O)CCCCCN1C(=O)CC(C)(C)C1=O.
What is the InChIKey of 6-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-N-(3-methyl-1-oxobutan-2-yl)hexanamide?
The InChIKey is GPCLLLBHTVENKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O4/c1-12(2)13(11-20)18-14(21)8-6-5-7-9-19-15(22)10-17(3,4)16(19)23/h11-13H,5-10H2,1-4H3,(H,18,21).
What are the key properties of 6-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-N-(3-methyl-1-oxobutan-2-yl)hexanamide?
6-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-N-(3-methyl-1-oxobutan-2-yl)hexanamide has a molecular weight of 324.42 g/mol, XLogP of 1.67, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-N-(3-methyl-1-oxobutan-2-yl)hexanamide is sourced from PubChem (CID 145323285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).