ethane;N-ethyl-3,3-dimethylbutanamide;tungsten(2+)

C10H21NOW — CID 148872040

IUPACethane;N-ethyl-3,3-dimethylbutanamide;tungsten(2+)
SMILES[CH2-]C.[CH2-]CNC(=O)CC(C)(C)C.[W+2]
InChIInChI=1S/C8H16NO.C2H5.W/c1-5-9-7(10)6-8(2,3)4;1-2;/h1,5-6H2,2-4H3,(H,9,10);1H2,2H3;/q2*-1;+2
InChIKeyPBJGNKQLAOKOFB-UHFFFAOYSA-N
MW355.12 g/mol
LogP2.21
Rot. Bonds2

About ethane;N-ethyl-3,3-dimethylbutanamide;tungsten(2+)

ethane;N-ethyl-3,3-dimethylbutanamide;tungsten(2+) (PubChem CID 148872040) has the molecular formula C10H21NOW and a molecular weight of 355.12 g/mol. Its IUPAC name is ethane;N-ethyl-3,3-dimethylbutanamide;tungsten(2+).

Molecular Properties

Compound Nameethane;N-ethyl-3,3-dimethylbutanamide;tungsten(2+)
PubChem CID148872040
Molecular FormulaC10H21NOW
Molecular Weight355.12 g/mol
Exact Mass355.11
IUPAC Nameethane;N-ethyl-3,3-dimethylbutanamide;tungsten(2+)
SMILES[CH2-]C.[CH2-]CNC(=O)CC(C)(C)C.[W+2]
InChIInChI=1S/C8H16NO.C2H5.W/c1-5-9-7(10)6-8(2,3)4;1-2;/h1,5-6H2,2-4H3,(H,9,10);1H2,2H3;/q2*-1;+2
InChIKeyPBJGNKQLAOKOFB-UHFFFAOYSA-N
XLogP2.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.12
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,3-dimethyl-N-(2-oxobutyl)butanamide
CID 149102417
3,3-dimethyl-N-tetradecylbutanamide
CID 156529855
N-[(tert-butylamino)methyl]-3,3-dimethylbutanamide
CID 59184455
N-[2-(aminomethyl)-2-ethylbutyl]-3,3-dimethylbutanamide
CID 106250638
N-[2-(bromomethyl)-2-ethylbutyl]-3,3-dimethylbutanamide
CID 106254765
3,3-dimethyl-N-(3-methylbutyl)butanamide
CID 4634731
N-(2-bromo-3-ethylpentyl)-3,3-dimethylbutanamide
CID 106288532
3,3-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]butanamide
CID 155613017
N-acetyl-3,3-dimethylbutanamide
CID 59565837
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-3,3-dimethylbutanamide
CID 114758016
N-[(4-aminophenyl)methyl]-3,3-dimethylbutanamide
CID 60893152
N-(6-iodohexyl)-3,3-dimethylbutanamide
CID 107848022

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-3,3-dimethylbutanamide;tungsten(2+)?
The IUPAC name of ethane;N-ethyl-3,3-dimethylbutanamide;tungsten(2+) (CID 148872040) is ethane;N-ethyl-3,3-dimethylbutanamide;tungsten(2+).
What is the SMILES notation for ethane;N-ethyl-3,3-dimethylbutanamide;tungsten(2+)?
The canonical SMILES for ethane;N-ethyl-3,3-dimethylbutanamide;tungsten(2+) is [CH2-]C.[CH2-]CNC(=O)CC(C)(C)C.[W+2].
What is the InChIKey of ethane;N-ethyl-3,3-dimethylbutanamide;tungsten(2+)?
The InChIKey is PBJGNKQLAOKOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16NO.C2H5.W/c1-5-9-7(10)6-8(2,3)4;1-2;/h1,5-6H2,2-4H3,(H,9,10);1H2,2H3;/q2*-1;+2.
What are the key properties of ethane;N-ethyl-3,3-dimethylbutanamide;tungsten(2+)?
ethane;N-ethyl-3,3-dimethylbutanamide;tungsten(2+) has a molecular weight of 355.12 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-3,3-dimethylbutanamide;tungsten(2+) is sourced from PubChem (CID 148872040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).