N-(3,5-dimethyl-2-oxohexan-3-yl)acetamide

C10H19NO2 — CID 163676270

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

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

N-(3,5-dimethyl-2-oxohexan-3-yl)acetamide (PubChem CID 163676270) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is N-(3,5-dimethyl-2-oxohexan-3-yl)acetamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-2-oxohexan-3-yl)acetamide
PubChem CID163676270
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC NameN-(3,5-dimethyl-2-oxohexan-3-yl)acetamide
SMILESCC(=O)NC(C)(CC(C)C)C(C)=O
InChIInChI=1S/C10H19NO2/c1-7(2)6-10(5,8(3)12)11-9(4)13/h7H,6H2,1-5H3,(H,11,13)
InChIKeyJGYXLGSZJKBVIH-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

Analyze N-(3,5-dimethyl-2-oxohexan-3-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-acetamido-2,4-dimethylpentanoic acid
CID 22858890
methyl 2-acetamido-2,4-dimethylpentanoate
CID 24978228
3,3,5-trimethylhexan-2-one
CID 2776079
(2S)-2-acetamido-2-methylbutanoic acid
CID 71355971
N-hydroxyacetamide;2,2,4-trimethylpentane
CID 153344333
bis(2,4-dimethylpentan-2-yl) carbonate
CID 87132187
N-(2,4-dimethyl-5-oxohexan-2-yl)acetamide
CID 153336695
2,4-dimethyl-2-(2-methylpropylamino)pentanoic acid
CID 61001424
N-(2,4-dimethyl-5-oxohexan-2-yl)acetamide;ethane;methane
CID 153336694
N,2,3,5-tetramethylhex-1-en-3-amine
CID 145459667
3,5,5-trimethyl-3-(2-methylpropyl)hexan-2-one
CID 130306251
acetic acid;2,2,4-trimethylpentane;hydrate
CID 159555520

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-2-oxohexan-3-yl)acetamide?
The IUPAC name of N-(3,5-dimethyl-2-oxohexan-3-yl)acetamide (CID 163676270) is N-(3,5-dimethyl-2-oxohexan-3-yl)acetamide.
What is the SMILES notation for N-(3,5-dimethyl-2-oxohexan-3-yl)acetamide?
The canonical SMILES for N-(3,5-dimethyl-2-oxohexan-3-yl)acetamide is CC(=O)NC(C)(CC(C)C)C(C)=O.
What is the InChIKey of N-(3,5-dimethyl-2-oxohexan-3-yl)acetamide?
The InChIKey is JGYXLGSZJKBVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-7(2)6-10(5,8(3)12)11-9(4)13/h7H,6H2,1-5H3,(H,11,13).
What are the key properties of N-(3,5-dimethyl-2-oxohexan-3-yl)acetamide?
N-(3,5-dimethyl-2-oxohexan-3-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-(3,5-dimethyl-2-oxohexan-3-yl)acetamide is sourced from PubChem (CID 163676270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).