6-(3,3-dimethyl-2,4-dioxoazetidin-1-yl)-N-(3-methyl-1-oxobutan-2-yl)hexanamide

C16H26N2O4 — CID 144706621

IUPAC6-(3,3-dimethyl-2,4-dioxoazetidin-1-yl)-N-(3-methyl-1-oxobutan-2-yl)hexanamide
SMILESCC(C)C(C=O)NC(=O)CCCCCN1C(=O)C(C)(C)C1=O
InChIInChI=1S/C16H26N2O4/c1-11(2)12(10-19)17-13(20)8-6-5-7-9-18-14(21)16(3,4)15(18)22/h10-12H,5-9H2,1-4H3,(H,17,20)
InChIKeyGKBYNROWINEWOT-UHFFFAOYSA-N
MW310.39 g/mol
LogP1.28
Rot. Bonds9

About 6-(3,3-dimethyl-2,4-dioxoazetidin-1-yl)-N-(3-methyl-1-oxobutan-2-yl)hexanamide

6-(3,3-dimethyl-2,4-dioxoazetidin-1-yl)-N-(3-methyl-1-oxobutan-2-yl)hexanamide (PubChem CID 144706621) has the molecular formula C16H26N2O4 and a molecular weight of 310.39 g/mol. Its IUPAC name is 6-(3,3-dimethyl-2,4-dioxoazetidin-1-yl)-N-(3-methyl-1-oxobutan-2-yl)hexanamide.

Molecular Properties

Compound Name6-(3,3-dimethyl-2,4-dioxoazetidin-1-yl)-N-(3-methyl-1-oxobutan-2-yl)hexanamide
PubChem CID144706621
Molecular FormulaC16H26N2O4
Molecular Weight310.39 g/mol
Exact Mass310.19
IUPAC Name6-(3,3-dimethyl-2,4-dioxoazetidin-1-yl)-N-(3-methyl-1-oxobutan-2-yl)hexanamide
SMILESCC(C)C(C=O)NC(=O)CCCCCN1C(=O)C(C)(C)C1=O
InChIInChI=1S/C16H26N2O4/c1-11(2)12(10-19)17-13(20)8-6-5-7-9-18-14(21)16(3,4)15(18)22/h10-12H,5-9H2,1-4H3,(H,17,20)
InChIKeyGKBYNROWINEWOT-UHFFFAOYSA-N
XLogP1.28
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 51.28
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': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

6-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-N-(3-methyl-1-oxobutan-2-yl)hexanamide
CID 145323285
6-(2,5-dioxopyrrol-1-yl)-N-(3-methyl-1-oxobutan-2-yl)hexanamide
CID 123154320
N-(3-methyl-1-oxobutan-2-yl)hexadecanamide
CID 90757264
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
N-(3-methyl-1-oxobutan-2-yl)-6-(4-pyrimidin-5-yltriazol-1-yl)hexanamide
CID 170279391
6-(2,5-dioxopyrrol-1-yl)-N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]hexanamide
CID 122490998
N,N'-di(propan-2-yl)decanediamide
CID 58997511
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(4-fluorophenyl)ethyl]butanamide
CID 18111423
6-(2,5-dioxopyrrol-1-yl)-N-[(2S)-3-methyl-1-[(4-methyl-3-oxopentan-2-yl)amino]-1-oxobutan-2-yl]hexanamide
CID 155702299
(2R)-2-[[(2S)-2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]propanoyl]amino]propanoic acid
CID 169179364
(2R)-2-[6-(2,5-dioxopyrrolidin-1-yl)hexanoylamino]-4-methylpentanoic acid
CID 118184263

Frequently Asked Questions

What is the IUPAC name of 6-(3,3-dimethyl-2,4-dioxoazetidin-1-yl)-N-(3-methyl-1-oxobutan-2-yl)hexanamide?
The IUPAC name of 6-(3,3-dimethyl-2,4-dioxoazetidin-1-yl)-N-(3-methyl-1-oxobutan-2-yl)hexanamide (CID 144706621) is 6-(3,3-dimethyl-2,4-dioxoazetidin-1-yl)-N-(3-methyl-1-oxobutan-2-yl)hexanamide.
What is the SMILES notation for 6-(3,3-dimethyl-2,4-dioxoazetidin-1-yl)-N-(3-methyl-1-oxobutan-2-yl)hexanamide?
The canonical SMILES for 6-(3,3-dimethyl-2,4-dioxoazetidin-1-yl)-N-(3-methyl-1-oxobutan-2-yl)hexanamide is CC(C)C(C=O)NC(=O)CCCCCN1C(=O)C(C)(C)C1=O.
What is the InChIKey of 6-(3,3-dimethyl-2,4-dioxoazetidin-1-yl)-N-(3-methyl-1-oxobutan-2-yl)hexanamide?
The InChIKey is GKBYNROWINEWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4/c1-11(2)12(10-19)17-13(20)8-6-5-7-9-18-14(21)16(3,4)15(18)22/h10-12H,5-9H2,1-4H3,(H,17,20).
What are the key properties of 6-(3,3-dimethyl-2,4-dioxoazetidin-1-yl)-N-(3-methyl-1-oxobutan-2-yl)hexanamide?
6-(3,3-dimethyl-2,4-dioxoazetidin-1-yl)-N-(3-methyl-1-oxobutan-2-yl)hexanamide has a molecular weight of 310.39 g/mol, XLogP of 1.28, 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-2,4-dioxoazetidin-1-yl)-N-(3-methyl-1-oxobutan-2-yl)hexanamide is sourced from PubChem (CID 144706621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).