2-oxo-N-propan-2-ylpropanamide

C6H11NO2 — CID 12710767

IUPAC2-oxo-N-propan-2-ylpropanamide
SMILESCC(=O)C(=O)NC(C)C
InChIInChI=1S/C6H11NO2/c1-4(2)7-6(9)5(3)8/h4H,1-3H3,(H,7,9)
InChIKeyILKCOPXKMGWOSG-UHFFFAOYSA-N
MW129.16 g/mol
LogP0.10
Rot. Bonds2

About 2-oxo-N-propan-2-ylpropanamide

2-oxo-N-propan-2-ylpropanamide (PubChem CID 12710767) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 2-oxo-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-oxo-N-propan-2-ylpropanamide
PubChem CID12710767
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name2-oxo-N-propan-2-ylpropanamide
SMILESCC(=O)C(=O)NC(C)C
InChIInChI=1S/C6H11NO2/c1-4(2)7-6(9)5(3)8/h4H,1-3H3,(H,7,9)
InChIKeyILKCOPXKMGWOSG-UHFFFAOYSA-N
XLogP0.10
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-methyl-2-oxopropyl)acetamide
CID 97923
L-Alanylglycinamide
CID 7019037
Glycyl-l-alaninamide
CID 7019077
2-((1-Hydroxyethylidene)amino)-N-methylpropanimidic acid
CID 141892
N-sec-Butylacetamide
CID 347477
2-Acetamidopropanamide
CID 152381
Isopropylpropionamid
CID 347475
N-Acetylalanyl-N-methylamide
CID 5484387
(S)-2-Acetamidopropanamide
CID 6950965
N-[(1S)-1-methyl-2-oxobutyl]acetamide
CID 55286589
(2R)-2-amino-N-(3-oxobutan-2-yl)propanamide;hydrobromide
CID 90678145
N-(2-oxopropyl)acetamide
CID 82185

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-propan-2-ylpropanamide?
The IUPAC name of 2-oxo-N-propan-2-ylpropanamide (CID 12710767) is 2-oxo-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-oxo-N-propan-2-ylpropanamide?
The canonical SMILES for 2-oxo-N-propan-2-ylpropanamide is CC(=O)C(=O)NC(C)C.
What is the InChIKey of 2-oxo-N-propan-2-ylpropanamide?
The InChIKey is ILKCOPXKMGWOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-4(2)7-6(9)5(3)8/h4H,1-3H3,(H,7,9).
What are the key properties of 2-oxo-N-propan-2-ylpropanamide?
2-oxo-N-propan-2-ylpropanamide has a molecular weight of 129.16 g/mol, XLogP of 0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-propan-2-ylpropanamide is sourced from PubChem (CID 12710767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).