N-methyl-N-(3-methyl-1-oxopentan-2-yl)acetamide

C9H17NO2 — CID 19757608

IUPACN-methyl-N-(3-methyl-1-oxopentan-2-yl)acetamide
SMILESCCC(C)C(C=O)N(C)C(C)=O
InChIInChI=1S/C9H17NO2/c1-5-7(2)9(6-11)10(4)8(3)12/h6-7,9H,5H2,1-4H3
InChIKeyPREXZRGELCJJFR-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.08
Rot. Bonds4

About N-methyl-N-(3-methyl-1-oxopentan-2-yl)acetamide

N-methyl-N-(3-methyl-1-oxopentan-2-yl)acetamide (PubChem CID 19757608) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is N-methyl-N-(3-methyl-1-oxopentan-2-yl)acetamide.

Molecular Properties

Compound NameN-methyl-N-(3-methyl-1-oxopentan-2-yl)acetamide
PubChem CID19757608
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC NameN-methyl-N-(3-methyl-1-oxopentan-2-yl)acetamide
SMILESCCC(C)C(C=O)N(C)C(C)=O
InChIInChI=1S/C9H17NO2/c1-5-7(2)9(6-11)10(4)8(3)12/h6-7,9H,5H2,1-4H3
InChIKeyPREXZRGELCJJFR-UHFFFAOYSA-N
XLogP1.08
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-methyl-N-(3-methyl-1-oxopentan-2-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

N-[1-(diethylamino)ethyl]-N-methylacetamide
CID 141054197
N-[(2R,3R,4R,5R)-4,5-dihydroxy-3,6-dimethoxy-1-oxohexan-2-yl]-N-methylacetamide
CID 54268515
[(2R)-butan-2-yl] (2S)-2-[acetyl(methyl)amino]propanoate
CID 174076582
N-(1-chloropropan-2-yl)-N-methylacetamide
CID 104555726
(2R,3R)-2-hydroxy-3-methylpentanal
CID 89028923
N-(2-formylbutyl)-N-methylacetamide
CID 12688089
N-methyl-N-(1-methylsulfanylpropan-2-yl)acetamide
CID 112692053
N-[(2S)-2-[acetyl(methyl)amino]propyl]-N-methylacetamide
CID 99908303
(3R,4S,5S)-4-[acetyl(methyl)amino]-3-methoxy-5-methylheptanamide
CID 153499920
N-methyl-N-[1-(methylamino)-3-oxopropan-2-yl]acetamide
CID 167152909
N-[1-(diethylamino)ethyl]-N-methylcarbamoyl chloride
CID 89202898
N-acetyl-N,2-dimethylbutanamide;ethane
CID 177191863

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-methyl-1-oxopentan-2-yl)acetamide?
The IUPAC name of N-methyl-N-(3-methyl-1-oxopentan-2-yl)acetamide (CID 19757608) is N-methyl-N-(3-methyl-1-oxopentan-2-yl)acetamide.
What is the SMILES notation for N-methyl-N-(3-methyl-1-oxopentan-2-yl)acetamide?
The canonical SMILES for N-methyl-N-(3-methyl-1-oxopentan-2-yl)acetamide is CCC(C)C(C=O)N(C)C(C)=O.
What is the InChIKey of N-methyl-N-(3-methyl-1-oxopentan-2-yl)acetamide?
The InChIKey is PREXZRGELCJJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-5-7(2)9(6-11)10(4)8(3)12/h6-7,9H,5H2,1-4H3.
What are the key properties of N-methyl-N-(3-methyl-1-oxopentan-2-yl)acetamide?
N-methyl-N-(3-methyl-1-oxopentan-2-yl)acetamide has a molecular weight of 171.24 g/mol, XLogP of 1.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-methyl-1-oxopentan-2-yl)acetamide is sourced from PubChem (CID 19757608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).