3,3-diiodo-N,N-dimethyl-2-oxobutanamide

C6H9I2NO2 — CID 155470286

IUPAC3,3-diiodo-N,N-dimethyl-2-oxobutanamide
SMILESCN(C)C(=O)C(=O)C(C)(I)I
InChIInChI=1S/C6H9I2NO2/c1-6(7,8)4(10)5(11)9(2)3/h1-3H3
InChIKeyPNZFCDRTJKWJDD-UHFFFAOYSA-N
MW380.95 g/mol
LogP1.23
Rot. Bonds2

About 3,3-diiodo-N,N-dimethyl-2-oxobutanamide

3,3-diiodo-N,N-dimethyl-2-oxobutanamide (PubChem CID 155470286) has the molecular formula C6H9I2NO2 and a molecular weight of 380.95 g/mol. Its IUPAC name is 3,3-diiodo-N,N-dimethyl-2-oxobutanamide.

Molecular Properties

Compound Name3,3-diiodo-N,N-dimethyl-2-oxobutanamide
PubChem CID155470286
Molecular FormulaC6H9I2NO2
Molecular Weight380.95 g/mol
Exact Mass380.87
IUPAC Name3,3-diiodo-N,N-dimethyl-2-oxobutanamide
SMILESCN(C)C(=O)C(=O)C(C)(I)I
InChIInChI=1S/C6H9I2NO2/c1-6(7,8)4(10)5(11)9(2)3/h1-3H3
InChIKeyPNZFCDRTJKWJDD-UHFFFAOYSA-N
XLogP1.23
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.95
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-(iodomethyl)-N,N-dimethylprop-2-enamide
CID 11843066
N,N,4,4-tetramethyl-2-oxopentanamide
CID 158996927
bis[4-(dimethylamino)-2,2-dimethyl-3,4-dioxobutyl] (E)-but-2-enedioate
CID 126633310
2-[1-(dimethylamino)-2-methyl-1-oxopropan-2-yl]oxy-N,N,2-trimethylpropanamide
CID 142784953
2-(dimethylamino)-2-iodopropanoic acid
CID 87761406
3-hydroxy-N,N,2,2-tetramethylpropanamide
CID 10510973
N,2,2-trimethyl-N-(trideuteriomethyl)propanamide
CID 157366464
N,N,2-trimethyl-2-piperidin-1-ylpropanamide
CID 118311285
2,2,2-tris(dimethylamino)-N,N-dimethylacetamide
CID 87823120
azane;N,N,2-trimethylprop-2-enamide
CID 162327856
N,N-dimethylacetamide;molecular iodine
CID 158534416
2,2-dimethyl-1-[methyl(sulfino)amino]-1-oxopropane
CID 174399036

Frequently Asked Questions

What is the IUPAC name of 3,3-diiodo-N,N-dimethyl-2-oxobutanamide?
The IUPAC name of 3,3-diiodo-N,N-dimethyl-2-oxobutanamide (CID 155470286) is 3,3-diiodo-N,N-dimethyl-2-oxobutanamide.
What is the SMILES notation for 3,3-diiodo-N,N-dimethyl-2-oxobutanamide?
The canonical SMILES for 3,3-diiodo-N,N-dimethyl-2-oxobutanamide is CN(C)C(=O)C(=O)C(C)(I)I.
What is the InChIKey of 3,3-diiodo-N,N-dimethyl-2-oxobutanamide?
The InChIKey is PNZFCDRTJKWJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9I2NO2/c1-6(7,8)4(10)5(11)9(2)3/h1-3H3.
What are the key properties of 3,3-diiodo-N,N-dimethyl-2-oxobutanamide?
3,3-diiodo-N,N-dimethyl-2-oxobutanamide has a molecular weight of 380.95 g/mol, XLogP of 1.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diiodo-N,N-dimethyl-2-oxobutanamide is sourced from PubChem (CID 155470286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).