N-(2,4-dimethyl-5-oxohexan-2-yl)acetamide

C10H19NO2 — CID 153336695

IUPACN-(2,4-dimethyl-5-oxohexan-2-yl)acetamide
SMILESCC(=O)NC(C)(C)CC(C)C(C)=O
InChIInChI=1S/C10H19NO2/c1-7(8(2)12)6-10(4,5)11-9(3)13/h7H,6H2,1-5H3,(H,11,13)
InChIKeyOABRNGCDELSYOJ-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.52
Rot. Bonds4

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

N-(2,4-dimethyl-5-oxohexan-2-yl)acetamide (PubChem CID 153336695) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is N-(2,4-dimethyl-5-oxohexan-2-yl)acetamide.

Molecular Properties

Compound NameN-(2,4-dimethyl-5-oxohexan-2-yl)acetamide
PubChem CID153336695
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC NameN-(2,4-dimethyl-5-oxohexan-2-yl)acetamide
SMILESCC(=O)NC(C)(C)CC(C)C(C)=O
InChIInChI=1S/C10H19NO2/c1-7(8(2)12)6-10(4,5)11-9(3)13/h7H,6H2,1-5H3,(H,11,13)
InChIKeyOABRNGCDELSYOJ-UHFFFAOYSA-N
XLogP1.52
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-dimethyl-5-oxohexan-2-yl)acetamide;ethane;methane
CID 153336694
5-hydroxy-3,5-dimethylhexan-2-one
CID 79428904
N-(2,4,4,5-tetramethylhexan-2-yl)acetamide
CID 142527857
N-(6-acetamido-2,6-dimethyl-4-oxoheptan-2-yl)acetamide
CID 139120888
ethane;N-(2-methylbutan-2-yl)acetamide
CID 142252022
N-[(4S)-2,6-dimethyl-4-piperidin-4-ylheptan-2-yl]acetamide
CID 124674767
N-(3,5-dimethyl-2-oxohexan-3-yl)acetamide
CID 163676270
N-[(4R)-2,6,6-trimethyl-4-piperidin-4-ylheptan-2-yl]acetamide
CID 124636333
(2R)-2-acetamido-2,4-dimethylpentanoic acid
CID 22858890
4-acetamido-N,2,2,4-tetramethylpentanamide
CID 130219137
N-[2-methyl-3-(methylamino)butan-2-yl]acetamide
CID 170339118
N-[4-[(1,1-dioxothian-4-yl)amino]-2-methylpentan-2-yl]acetamide
CID 131913138

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethyl-5-oxohexan-2-yl)acetamide?
The IUPAC name of N-(2,4-dimethyl-5-oxohexan-2-yl)acetamide (CID 153336695) is N-(2,4-dimethyl-5-oxohexan-2-yl)acetamide.
What is the SMILES notation for N-(2,4-dimethyl-5-oxohexan-2-yl)acetamide?
The canonical SMILES for N-(2,4-dimethyl-5-oxohexan-2-yl)acetamide is CC(=O)NC(C)(C)CC(C)C(C)=O.
What is the InChIKey of N-(2,4-dimethyl-5-oxohexan-2-yl)acetamide?
The InChIKey is OABRNGCDELSYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-7(8(2)12)6-10(4,5)11-9(3)13/h7H,6H2,1-5H3,(H,11,13).
What are the key properties of N-(2,4-dimethyl-5-oxohexan-2-yl)acetamide?
N-(2,4-dimethyl-5-oxohexan-2-yl)acetamide has a molecular weight of 185.27 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethyl-5-oxohexan-2-yl)acetamide is sourced from PubChem (CID 153336695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).