N,2-dimethyl-3-oxopentanamide

C7H13NO2 — CID 55299421

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

About N,2-dimethyl-3-oxopentanamide

N,2-dimethyl-3-oxopentanamide (PubChem CID 55299421) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is N,2-dimethyl-3-oxopentanamide.

Molecular Properties

Compound NameN,2-dimethyl-3-oxopentanamide
PubChem CID55299421
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC NameN,2-dimethyl-3-oxopentanamide
SMILESCCC(=O)C(C)C(=O)NC
InChIInChI=1S/C7H13NO2/c1-4-6(9)5(2)7(10)8-3/h5H,4H2,1-3H3,(H,8,10)
InChIKeyGWXIOIDRLMDQDS-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': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-3-oxopentanamide?
The IUPAC name of N,2-dimethyl-3-oxopentanamide (CID 55299421) is N,2-dimethyl-3-oxopentanamide.
What is the SMILES notation for N,2-dimethyl-3-oxopentanamide?
The canonical SMILES for N,2-dimethyl-3-oxopentanamide is CCC(=O)C(C)C(=O)NC.
What is the InChIKey of N,2-dimethyl-3-oxopentanamide?
The InChIKey is GWXIOIDRLMDQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-4-6(9)5(2)7(10)8-3/h5H,4H2,1-3H3,(H,8,10).
What are the key properties of N,2-dimethyl-3-oxopentanamide?
N,2-dimethyl-3-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,2-dimethyl-3-oxopentanamide is sourced from PubChem (CID 55299421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).