N,4,4-trimethyl-3-oxopentanamide

C8H15NO2 — CID 14566829

IUPACN,4,4-trimethyl-3-oxopentanamide
SMILESCNC(=O)CC(=O)C(C)(C)C
InChIInChI=1S/C8H15NO2/c1-8(2,3)6(10)5-7(11)9-4/h5H2,1-4H3,(H,9,11)
InChIKeyZFRVGFQBASEUSG-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.74
Rot. Bonds2

About N,4,4-trimethyl-3-oxopentanamide

N,4,4-trimethyl-3-oxopentanamide (PubChem CID 14566829) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is N,4,4-trimethyl-3-oxopentanamide.

Molecular Properties

Compound NameN,4,4-trimethyl-3-oxopentanamide
PubChem CID14566829
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC NameN,4,4-trimethyl-3-oxopentanamide
SMILESCNC(=O)CC(=O)C(C)(C)C
InChIInChI=1S/C8H15NO2/c1-8(2,3)6(10)5-7(11)9-4/h5H2,1-4H3,(H,9,11)
InChIKeyZFRVGFQBASEUSG-UHFFFAOYSA-N
XLogP0.74
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.74
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,4,4-trimethyl-3-oxopentanamide?
The IUPAC name of N,4,4-trimethyl-3-oxopentanamide (CID 14566829) is N,4,4-trimethyl-3-oxopentanamide.
What is the SMILES notation for N,4,4-trimethyl-3-oxopentanamide?
The canonical SMILES for N,4,4-trimethyl-3-oxopentanamide is CNC(=O)CC(=O)C(C)(C)C.
What is the InChIKey of N,4,4-trimethyl-3-oxopentanamide?
The InChIKey is ZFRVGFQBASEUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-8(2,3)6(10)5-7(11)9-4/h5H2,1-4H3,(H,9,11).
What are the key properties of N,4,4-trimethyl-3-oxopentanamide?
N,4,4-trimethyl-3-oxopentanamide has a molecular weight of 157.21 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4,4-trimethyl-3-oxopentanamide is sourced from PubChem (CID 14566829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).