2-amino-N,N-diiodopropanamide

C3H6I2N2O — CID 134313626

IUPAC2-amino-N,N-diiodopropanamide
SMILESCC(N)C(=O)N(I)I
InChIInChI=1S/C3H6I2N2O/c1-2(6)3(8)7(4)5/h2H,6H2,1H3
InChIKeyGKKAWESPGJLUSS-UHFFFAOYSA-N
MW339.90 g/mol
LogP0.86
Rot. Bonds1

About 2-amino-N,N-diiodopropanamide

2-amino-N,N-diiodopropanamide (PubChem CID 134313626) has the molecular formula C3H6I2N2O and a molecular weight of 339.90 g/mol. Its IUPAC name is 2-amino-N,N-diiodopropanamide.

Molecular Properties

Compound Name2-amino-N,N-diiodopropanamide
PubChem CID134313626
Molecular FormulaC3H6I2N2O
Molecular Weight339.90 g/mol
Exact Mass339.86
IUPAC Name2-amino-N,N-diiodopropanamide
SMILESCC(N)C(=O)N(I)I
InChIInChI=1S/C3H6I2N2O/c1-2(6)3(8)7(4)5/h2H,6H2,1H3
InChIKeyGKKAWESPGJLUSS-UHFFFAOYSA-N
XLogP0.86
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.90
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N,N-bis(2-methylpropyl)propanamide
CID 43588746
2-[2-aminopropanoyl(methyl)amino]propanoic acid
CID 62637086
(2S)-2-amino-N-ethyl-N-propan-2-ylpropanamide
CID 61145665
2-amino-N,N-bis(2-amino-2-oxoethyl)propanamide
CID 62921571
2-amino-N-(2-hydroxyethyl)-N-methylpropanamide
CID 56831806
(2S)-2-aminopropanoic acid
CID 18446182
(2S)-2-aminopropanoic acid
CID 5950
(2R)-2-aminopropanoic acid
CID 18611140
[bis[(2S)-2-aminopropanoyl]amino]methylphosphonic acid
CID 87262460
(2S)-2-amino-N,N-bis(3-methylbutyl)propanamide
CID 61147605
(2S)-2-amino-N-(3-amino-3-oxoprop-1-en-2-yl)-N-[(2S)-2-aminopropanoyl]propanamide
CID 87092008
methyl 2-[2-aminopropanoyl(methyl)amino]propanoate
CID 18723921

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,N-diiodopropanamide?
The IUPAC name of 2-amino-N,N-diiodopropanamide (CID 134313626) is 2-amino-N,N-diiodopropanamide.
What is the SMILES notation for 2-amino-N,N-diiodopropanamide?
The canonical SMILES for 2-amino-N,N-diiodopropanamide is CC(N)C(=O)N(I)I.
What is the InChIKey of 2-amino-N,N-diiodopropanamide?
The InChIKey is GKKAWESPGJLUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6I2N2O/c1-2(6)3(8)7(4)5/h2H,6H2,1H3.
What are the key properties of 2-amino-N,N-diiodopropanamide?
2-amino-N,N-diiodopropanamide has a molecular weight of 339.90 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,N-diiodopropanamide is sourced from PubChem (CID 134313626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).