N,N,2,3,3-pentamethyl-4-oxobutanamide;tungsten

C9H16NO2W- — CID 59942404

IUPACN,N,2,3,3-pentamethyl-4-oxobutanamide;tungsten
SMILESCC(C(=O)N(C)C)C(C)(C)[C-]=O.[W]
InChIInChI=1S/C9H16NO2.W/c1-7(8(12)10(4)5)9(2,3)6-11;/h7H,1-5H3;/q-1;
InChIKeyFOXDBCDTRPXSAD-UHFFFAOYSA-N
MW354.07 g/mol
LogP0.84
Rot. Bonds3

About N,N,2,3,3-pentamethyl-4-oxobutanamide;tungsten

N,N,2,3,3-pentamethyl-4-oxobutanamide;tungsten (PubChem CID 59942404) has the molecular formula C9H16NO2W- and a molecular weight of 354.07 g/mol. Its IUPAC name is N,N,2,3,3-pentamethyl-4-oxobutanamide;tungsten.

Molecular Properties

Compound NameN,N,2,3,3-pentamethyl-4-oxobutanamide;tungsten
PubChem CID59942404
Molecular FormulaC9H16NO2W-
Molecular Weight354.07 g/mol
Exact Mass354.07
IUPAC NameN,N,2,3,3-pentamethyl-4-oxobutanamide;tungsten
SMILESCC(C(=O)N(C)C)C(C)(C)[C-]=O.[W]
InChIInChI=1S/C9H16NO2.W/c1-7(8(12)10(4)5)9(2,3)6-11;/h7H,1-5H3;/q-1;
InChIKeyFOXDBCDTRPXSAD-UHFFFAOYSA-N
XLogP0.84
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.07
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N,2,3,3-pentamethyl-4-oxobutanamide;tungsten?
The IUPAC name of N,N,2,3,3-pentamethyl-4-oxobutanamide;tungsten (CID 59942404) is N,N,2,3,3-pentamethyl-4-oxobutanamide;tungsten.
What is the SMILES notation for N,N,2,3,3-pentamethyl-4-oxobutanamide;tungsten?
The canonical SMILES for N,N,2,3,3-pentamethyl-4-oxobutanamide;tungsten is CC(C(=O)N(C)C)C(C)(C)[C-]=O.[W].
What is the InChIKey of N,N,2,3,3-pentamethyl-4-oxobutanamide;tungsten?
The InChIKey is FOXDBCDTRPXSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16NO2.W/c1-7(8(12)10(4)5)9(2,3)6-11;/h7H,1-5H3;/q-1;.
What are the key properties of N,N,2,3,3-pentamethyl-4-oxobutanamide;tungsten?
N,N,2,3,3-pentamethyl-4-oxobutanamide;tungsten has a molecular weight of 354.07 g/mol, XLogP of 0.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2,3,3-pentamethyl-4-oxobutanamide;tungsten is sourced from PubChem (CID 59942404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).