N-[2-(diiodoamino)ethyl]-N-methylacetamide

C5H10I2N2O — CID 167185842

IUPACN-[2-(diiodoamino)ethyl]-N-methylacetamide
SMILESCC(=O)N(C)CCN(I)I
InChIInChI=1S/C5H10I2N2O/c1-5(10)8(2)3-4-9(6)7/h3-4H2,1-2H3
InChIKeyCUXUZBJXUYUBTI-UHFFFAOYSA-N
MW367.96 g/mol
LogP1.47
Rot. Bonds3

About N-[2-(diiodoamino)ethyl]-N-methylacetamide

N-[2-(diiodoamino)ethyl]-N-methylacetamide (PubChem CID 167185842) has the molecular formula C5H10I2N2O and a molecular weight of 367.96 g/mol. Its IUPAC name is N-[2-(diiodoamino)ethyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[2-(diiodoamino)ethyl]-N-methylacetamide
PubChem CID167185842
Molecular FormulaC5H10I2N2O
Molecular Weight367.96 g/mol
Exact Mass367.89
IUPAC NameN-[2-(diiodoamino)ethyl]-N-methylacetamide
SMILESCC(=O)N(C)CCN(I)I
InChIInChI=1S/C5H10I2N2O/c1-5(10)8(2)3-4-9(6)7/h3-4H2,1-2H3
InChIKeyCUXUZBJXUYUBTI-UHFFFAOYSA-N
XLogP1.47
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.96
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-(diiodoamino)ethyl]-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(dimethylamino)ethyl]-N-methylacetamide;ethane
CID 143604144
N-(2-chloroethyl)-N-methylacetamide
CID 63391485
N-methyl-N-(3-oxobutyl)acetamide
CID 12830531
N-(3-aminobutyl)-N-methylacetamide
CID 88939316
N-[2-[butan-2-yl(methyl)amino]ethyl]-N-methylacetamide
CID 87110437
N-butyl-N-methylacetamide;ethane
CID 142088805
ethane;N-methyl-N-(3-oxopropyl)acetamide
CID 143162499
N-decyl-N-methylacetamide
CID 22114742
butane;ethyl N-[2-[acetyl(methyl)amino]ethyl]-N-methylcarbamate
CID 153346338
N-[2-[heptadecyl(methyl)amino]ethyl]-N-methylacetamide
CID 10714096
N-methyl-N-[3-(methylamino)propyl]acetamide
CID 23084468
ethane;N-methyl-N-octylacetamide
CID 142531459

Frequently Asked Questions

What is the IUPAC name of N-[2-(diiodoamino)ethyl]-N-methylacetamide?
The IUPAC name of N-[2-(diiodoamino)ethyl]-N-methylacetamide (CID 167185842) is N-[2-(diiodoamino)ethyl]-N-methylacetamide.
What is the SMILES notation for N-[2-(diiodoamino)ethyl]-N-methylacetamide?
The canonical SMILES for N-[2-(diiodoamino)ethyl]-N-methylacetamide is CC(=O)N(C)CCN(I)I.
What is the InChIKey of N-[2-(diiodoamino)ethyl]-N-methylacetamide?
The InChIKey is CUXUZBJXUYUBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10I2N2O/c1-5(10)8(2)3-4-9(6)7/h3-4H2,1-2H3.
What are the key properties of N-[2-(diiodoamino)ethyl]-N-methylacetamide?
N-[2-(diiodoamino)ethyl]-N-methylacetamide has a molecular weight of 367.96 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diiodoamino)ethyl]-N-methylacetamide is sourced from PubChem (CID 167185842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).