N,4-dimethyl-2-oxopentanamide

C7H13NO2 — CID 18618423

IUPACN,4-dimethyl-2-oxopentanamide
SMILESCNC(=O)C(=O)CC(C)C
InChIInChI=1S/C7H13NO2/c1-5(2)4-6(9)7(10)8-3/h5H,4H2,1-3H3,(H,8,10)
InChIKeyFJGVKCRVSGMGSD-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.35
Rot. Bonds3

About N,4-dimethyl-2-oxopentanamide

N,4-dimethyl-2-oxopentanamide (PubChem CID 18618423) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is N,4-dimethyl-2-oxopentanamide.

Molecular Properties

Compound NameN,4-dimethyl-2-oxopentanamide
PubChem CID18618423
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC NameN,4-dimethyl-2-oxopentanamide
SMILESCNC(=O)C(=O)CC(C)C
InChIInChI=1S/C7H13NO2/c1-5(2)4-6(9)7(10)8-3/h5H,4H2,1-3H3,(H,8,10)
InChIKeyFJGVKCRVSGMGSD-UHFFFAOYSA-N
XLogP0.35
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.35
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

4-Methyl-1-(methylamino)pentan-2-one
CID 83635312
N,4-dimethylpentanamide
CID 20533276
N,2-dimethylpentanamide
CID 4626973
N,3-dimethyl-4-oxopentanamide
CID 21039873
N,4-dimethyl-3-oxopentanamide
CID 21221154
N,3,3-trimethyl-2-oxopentanamide
CID 21353749
N,2-dimethyl-4-oxopentanamide
CID 54572904
N,2-dimethyl-3-oxopentanamide
CID 55299421
N,3-dimethyl-2-oxobutanamide
CID 55300607
Methanidyl(2-methylpentanoyl)azanium
CID 57566486
3-methyl-N-(5-methyl-2-oxohexyl)butanamide
CID 58223927
2-methyl-N-(4-methyl-2-oxopentyl)propanamide
CID 59819862

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-2-oxopentanamide?
The IUPAC name of N,4-dimethyl-2-oxopentanamide (CID 18618423) is N,4-dimethyl-2-oxopentanamide.
What is the SMILES notation for N,4-dimethyl-2-oxopentanamide?
The canonical SMILES for N,4-dimethyl-2-oxopentanamide is CNC(=O)C(=O)CC(C)C.
What is the InChIKey of N,4-dimethyl-2-oxopentanamide?
The InChIKey is FJGVKCRVSGMGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-5(2)4-6(9)7(10)8-3/h5H,4H2,1-3H3,(H,8,10).
What are the key properties of N,4-dimethyl-2-oxopentanamide?
N,4-dimethyl-2-oxopentanamide has a molecular weight of 143.19 g/mol, XLogP of 0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-2-oxopentanamide is sourced from PubChem (CID 18618423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).