[2-(dimethylamino)-2-oxoethyl]-[2-(4-iodoanilino)-2-oxoethyl]-methylazanium

C13H19IN3O2+ — CID 8712032

IUPAC[2-(dimethylamino)-2-oxoethyl]-[2-(4-iodoanilino)-2-oxoethyl]-methylazanium
SMILESCN(C)C(=O)C[NH+](C)CC(=O)Nc1ccc(I)cc1
InChIInChI=1S/C13H18IN3O2/c1-16(2)13(19)9-17(3)8-12(18)15-11-6-4-10(14)5-7-11/h4-7H,8-9H2,1-3H3,(H,15,18)/p+1
InChIKeyOKIQIKCBSSQJPP-UHFFFAOYSA-O
MW376.22 g/mol
LogP-0.17
Rot. Bonds5

About [2-(dimethylamino)-2-oxoethyl]-[2-(4-iodoanilino)-2-oxoethyl]-methylazanium

[2-(dimethylamino)-2-oxoethyl]-[2-(4-iodoanilino)-2-oxoethyl]-methylazanium (PubChem CID 8712032) has the molecular formula C13H19IN3O2+ and a molecular weight of 376.22 g/mol. Its IUPAC name is [2-(dimethylamino)-2-oxoethyl]-[2-(4-iodoanilino)-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name[2-(dimethylamino)-2-oxoethyl]-[2-(4-iodoanilino)-2-oxoethyl]-methylazanium
PubChem CID8712032
Molecular FormulaC13H19IN3O2+
Molecular Weight376.22 g/mol
Exact Mass376.05
IUPAC Name[2-(dimethylamino)-2-oxoethyl]-[2-(4-iodoanilino)-2-oxoethyl]-methylazanium
SMILESCN(C)C(=O)C[NH+](C)CC(=O)Nc1ccc(I)cc1
InChIInChI=1S/C13H18IN3O2/c1-16(2)13(19)9-17(3)8-12(18)15-11-6-4-10(14)5-7-11/h4-7H,8-9H2,1-3H3,(H,15,18)/p+1
InChIKeyOKIQIKCBSSQJPP-UHFFFAOYSA-O
XLogP-0.17
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.22
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2-(dimethylamino)-2-oxoethyl]-methyl-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]azanium
CID 8695103
[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium
CID 8711960
[2-(dimethylamino)-2-oxoethyl]-methyl-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium
CID 8712336
2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-(4-iodophenyl)acetamide
CID 8712033
[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium
CID 8711948
[2-(dimethylamino)-2-oxoethyl]-[2-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylanilino]-2-oxoethyl]-methylazanium
CID 8695187
[2-(2-bromoanilino)-2-oxoethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium
CID 8712106
[2-(4-fluoroanilino)-2-oxoethyl]-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]-methylazanium
CID 9253030
[2-(dimethylamino)-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium
CID 8711968
[2-[benzyl(methyl)amino]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8588781
[2-(2,5-difluoroanilino)-2-oxoethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium
CID 8712228
N,N'-bis(4-iodophenyl)butanediamide
CID 4250378

Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-2-oxoethyl]-[2-(4-iodoanilino)-2-oxoethyl]-methylazanium?
The IUPAC name of [2-(dimethylamino)-2-oxoethyl]-[2-(4-iodoanilino)-2-oxoethyl]-methylazanium (CID 8712032) is [2-(dimethylamino)-2-oxoethyl]-[2-(4-iodoanilino)-2-oxoethyl]-methylazanium.
What is the SMILES notation for [2-(dimethylamino)-2-oxoethyl]-[2-(4-iodoanilino)-2-oxoethyl]-methylazanium?
The canonical SMILES for [2-(dimethylamino)-2-oxoethyl]-[2-(4-iodoanilino)-2-oxoethyl]-methylazanium is CN(C)C(=O)C[NH+](C)CC(=O)Nc1ccc(I)cc1.
What is the InChIKey of [2-(dimethylamino)-2-oxoethyl]-[2-(4-iodoanilino)-2-oxoethyl]-methylazanium?
The InChIKey is OKIQIKCBSSQJPP-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H18IN3O2/c1-16(2)13(19)9-17(3)8-12(18)15-11-6-4-10(14)5-7-11/h4-7H,8-9H2,1-3H3,(H,15,18)/p+1.
What are the key properties of [2-(dimethylamino)-2-oxoethyl]-[2-(4-iodoanilino)-2-oxoethyl]-methylazanium?
[2-(dimethylamino)-2-oxoethyl]-[2-(4-iodoanilino)-2-oxoethyl]-methylazanium has a molecular weight of 376.22 g/mol, XLogP of -0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-2-oxoethyl]-[2-(4-iodoanilino)-2-oxoethyl]-methylazanium is sourced from PubChem (CID 8712032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).