N-(2,2-dimethylpropyl)-3-oxohexanamide

C11H21NO2 — CID 174880292

IUPACN-(2,2-dimethylpropyl)-3-oxohexanamide
SMILESCCCC(=O)CC(=O)NCC(C)(C)C
InChIInChI=1S/C11H21NO2/c1-5-6-9(13)7-10(14)12-8-11(2,3)4/h5-8H2,1-4H3,(H,12,14)
InChIKeyQUKRVKRYHBXQHW-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.91
Rot. Bonds5

About N-(2,2-dimethylpropyl)-3-oxohexanamide

N-(2,2-dimethylpropyl)-3-oxohexanamide (PubChem CID 174880292) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-3-oxohexanamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-3-oxohexanamide
PubChem CID174880292
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC NameN-(2,2-dimethylpropyl)-3-oxohexanamide
SMILESCCCC(=O)CC(=O)NCC(C)(C)C
InChIInChI=1S/C11H21NO2/c1-5-6-9(13)7-10(14)12-8-11(2,3)4/h5-8H2,1-4H3,(H,12,14)
InChIKeyQUKRVKRYHBXQHW-UHFFFAOYSA-N
XLogP1.91
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-3-oxohexanamide
CID 88638325
N-(2,2-dimethylpropyl)-5-hydroxypentanamide
CID 79209264
N-(2,2-dimethylpropyl)-3-propylsulfanylbutanamide
CID 88943998
heptane-2,4-dione;palladium(2+)
CID 21417766
N-(2-ethoxy-2-methylpropyl)butanamide
CID 114944319
carbanide;N'-(2,2-dimethylpropyl)-N-(2-methylpropyl)propanediamide;bis(yttrium)
CID 59935162
N-(2,2-dimethylpropyl)-2,2-dimethylbutanamide
CID 54381373
N-(3,3-dimethylbutyl)butanamide
CID 115580246
N-(2,2-dimethylpropyl)-3-hydroxybutanamide
CID 87908757
3-[2-[2-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]-N-(2,2-dimethylpropyl)propanamide
CID 168855323
2-diethoxyphosphoryl-N-(2,2-dimethylpropyl)acetamide
CID 21027139
N-(2,2-dimethylpropyl)-3-(ethylamino)butanamide
CID 62838899

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-3-oxohexanamide?
The IUPAC name of N-(2,2-dimethylpropyl)-3-oxohexanamide (CID 174880292) is N-(2,2-dimethylpropyl)-3-oxohexanamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-3-oxohexanamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-3-oxohexanamide is CCCC(=O)CC(=O)NCC(C)(C)C.
What is the InChIKey of N-(2,2-dimethylpropyl)-3-oxohexanamide?
The InChIKey is QUKRVKRYHBXQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-5-6-9(13)7-10(14)12-8-11(2,3)4/h5-8H2,1-4H3,(H,12,14).
What are the key properties of N-(2,2-dimethylpropyl)-3-oxohexanamide?
N-(2,2-dimethylpropyl)-3-oxohexanamide has a molecular weight of 199.29 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-3-oxohexanamide is sourced from PubChem (CID 174880292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).