N-(2,2,5-trimethyl-4-oxohexan-3-yl)acetamide

C11H21NO2 — CID 147880102

IUPACN-(2,2,5-trimethyl-4-oxohexan-3-yl)acetamide
SMILESCC(=O)NC(C(=O)C(C)C)C(C)(C)C
InChIInChI=1S/C11H21NO2/c1-7(2)9(14)10(11(4,5)6)12-8(3)13/h7,10H,1-6H3,(H,12,13)
InChIKeyIAGXXPCYHQJNQM-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.76
Rot. Bonds3

About N-(2,2,5-trimethyl-4-oxohexan-3-yl)acetamide

N-(2,2,5-trimethyl-4-oxohexan-3-yl)acetamide (PubChem CID 147880102) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is N-(2,2,5-trimethyl-4-oxohexan-3-yl)acetamide.

Molecular Properties

Compound NameN-(2,2,5-trimethyl-4-oxohexan-3-yl)acetamide
PubChem CID147880102
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC NameN-(2,2,5-trimethyl-4-oxohexan-3-yl)acetamide
SMILESCC(=O)NC(C(=O)C(C)C)C(C)(C)C
InChIInChI=1S/C11H21NO2/c1-7(2)9(14)10(11(4,5)6)12-8(3)13/h7,10H,1-6H3,(H,12,13)
InChIKeyIAGXXPCYHQJNQM-UHFFFAOYSA-N
XLogP1.76
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-acetamido-3,3-dimethylbutanoyl chloride
CID 130013927
2-[(2-acetamido-3-methylbutanoyl)amino]-3,3-dimethylbutanoic acid
CID 43467424
1-cyclohexyl-3-(2,2,5-trimethyl-4-oxohexan-3-yl)urea
CID 143418831
N-(1-acetamido-2-methylpropyl)acetamide
CID 14691990
(2S)-3,3-dimethyl-2-(2-methylpropanoylamino)butanoic acid
CID 61143223
N-[(2S)-3,3-dimethylbutan-2-yl]-2-methylpropanamide
CID 153456545
N-[(4S)-2,6-dimethyl-3-oxoheptan-4-yl]acetamide
CID 58841973
(2R)-2-acetamido-3-methylbutanamide
CID 40561650
(3R)-4,4-dimethyl-3-(propan-2-ylamino)pentan-2-one
CID 158863781
N-(3,3-dimethyl-4-oxopentan-2-yl)acetamide
CID 20643032
N-(1-cyclopropyl-3-methyl-2-oxobutyl)acetamide
CID 76825713
methyl (2S,3S)-2-acetamido-3-hydroxy-4-methylpentanoate
CID 11367693

Frequently Asked Questions

What is the IUPAC name of N-(2,2,5-trimethyl-4-oxohexan-3-yl)acetamide?
The IUPAC name of N-(2,2,5-trimethyl-4-oxohexan-3-yl)acetamide (CID 147880102) is N-(2,2,5-trimethyl-4-oxohexan-3-yl)acetamide.
What is the SMILES notation for N-(2,2,5-trimethyl-4-oxohexan-3-yl)acetamide?
The canonical SMILES for N-(2,2,5-trimethyl-4-oxohexan-3-yl)acetamide is CC(=O)NC(C(=O)C(C)C)C(C)(C)C.
What is the InChIKey of N-(2,2,5-trimethyl-4-oxohexan-3-yl)acetamide?
The InChIKey is IAGXXPCYHQJNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-7(2)9(14)10(11(4,5)6)12-8(3)13/h7,10H,1-6H3,(H,12,13).
What are the key properties of N-(2,2,5-trimethyl-4-oxohexan-3-yl)acetamide?
N-(2,2,5-trimethyl-4-oxohexan-3-yl)acetamide has a molecular weight of 199.29 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,5-trimethyl-4-oxohexan-3-yl)acetamide is sourced from PubChem (CID 147880102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).