N-(3,3-dimethyl-4-oxopentan-2-yl)acetamide

C9H17NO2 — CID 20643032

IUPACN-(3,3-dimethyl-4-oxopentan-2-yl)acetamide
SMILESCC(=O)NC(C)C(C)(C)C(C)=O
InChIInChI=1S/C9H17NO2/c1-6(10-8(3)12)9(4,5)7(2)11/h6H,1-5H3,(H,10,12)
InChIKeyXWQPHFDZCAEISR-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.13
Rot. Bonds3

About N-(3,3-dimethyl-4-oxopentan-2-yl)acetamide

N-(3,3-dimethyl-4-oxopentan-2-yl)acetamide (PubChem CID 20643032) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is N-(3,3-dimethyl-4-oxopentan-2-yl)acetamide.

Molecular Properties

Compound NameN-(3,3-dimethyl-4-oxopentan-2-yl)acetamide
PubChem CID20643032
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC NameN-(3,3-dimethyl-4-oxopentan-2-yl)acetamide
SMILESCC(=O)NC(C)C(C)(C)C(C)=O
InChIInChI=1S/C9H17NO2/c1-6(10-8(3)12)9(4,5)7(2)11/h6H,1-5H3,(H,10,12)
InChIKeyXWQPHFDZCAEISR-UHFFFAOYSA-N
XLogP1.13
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-acetamido-3,3-dimethyl-4-oxopentanedithioic acid
CID 21154357
N-(2,2,5-trimethyl-4-oxohexan-3-yl)acetamide
CID 147880102
N-(4-methylhexan-3-yl)acetamide;uranium(2+)
CID 163668253
N-[(2S)-3,3-dimethylbutan-2-yl]-2-methylpropanamide
CID 153456545
N-(1-acetamido-2-methylpropyl)acetamide
CID 14691990
N-(1-fluoroethyl)acetamide
CID 123354067
N-[(2S,3S,4S)-1-acetamido-2,3,4-trihydroxypentyl]acetamide
CID 131852383
dimethyl 2-(2-methyl-3-oxobutan-2-yl)propanedioate
CID 15759046
(2S)-2-(acetyl(15N)amino)propanoic acid
CID 102175488
N-[1-(hydroxyamino)ethyl]acetamide;molecular hydrogen
CID 142966371
N-[1-(methylamino)ethyl]acetamide
CID 87728985
2-acetamido-3,3-dimethylbutanoyl chloride
CID 130013927

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethyl-4-oxopentan-2-yl)acetamide?
The IUPAC name of N-(3,3-dimethyl-4-oxopentan-2-yl)acetamide (CID 20643032) is N-(3,3-dimethyl-4-oxopentan-2-yl)acetamide.
What is the SMILES notation for N-(3,3-dimethyl-4-oxopentan-2-yl)acetamide?
The canonical SMILES for N-(3,3-dimethyl-4-oxopentan-2-yl)acetamide is CC(=O)NC(C)C(C)(C)C(C)=O.
What is the InChIKey of N-(3,3-dimethyl-4-oxopentan-2-yl)acetamide?
The InChIKey is XWQPHFDZCAEISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-6(10-8(3)12)9(4,5)7(2)11/h6H,1-5H3,(H,10,12).
What are the key properties of N-(3,3-dimethyl-4-oxopentan-2-yl)acetamide?
N-(3,3-dimethyl-4-oxopentan-2-yl)acetamide has a molecular weight of 171.24 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethyl-4-oxopentan-2-yl)acetamide is sourced from PubChem (CID 20643032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).