N,3-dimethyl-4-oxopentanamide

C7H13NO2 — CID 21039873

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

About N,3-dimethyl-4-oxopentanamide

N,3-dimethyl-4-oxopentanamide (PubChem CID 21039873) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is N,3-dimethyl-4-oxopentanamide.

Molecular Properties

Compound NameN,3-dimethyl-4-oxopentanamide
PubChem CID21039873
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC NameN,3-dimethyl-4-oxopentanamide
SMILESCNC(=O)CC(C)C(C)=O
InChIInChI=1S/C7H13NO2/c1-5(6(2)9)4-7(10)8-3/h5H,4H2,1-3H3,(H,8,10)
InChIKeyMGLCFENNHLOGSH-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

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-4-oxopentanamide?
The IUPAC name of N,3-dimethyl-4-oxopentanamide (CID 21039873) is N,3-dimethyl-4-oxopentanamide.
What is the SMILES notation for N,3-dimethyl-4-oxopentanamide?
The canonical SMILES for N,3-dimethyl-4-oxopentanamide is CNC(=O)CC(C)C(C)=O.
What is the InChIKey of N,3-dimethyl-4-oxopentanamide?
The InChIKey is MGLCFENNHLOGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-5(6(2)9)4-7(10)8-3/h5H,4H2,1-3H3,(H,8,10).
What are the key properties of N,3-dimethyl-4-oxopentanamide?
N,3-dimethyl-4-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,3-dimethyl-4-oxopentanamide is sourced from PubChem (CID 21039873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).