N-iodo-4-[iodomethyl(methyl)amino]butanamide

C6H12I2N2O — CID 118370506

IUPACN-iodo-4-[iodomethyl(methyl)amino]butanamide
SMILESCN(CI)CCCC(=O)NI
InChIInChI=1S/C6H12I2N2O/c1-10(5-7)4-2-3-6(11)9-8/h2-5H2,1H3,(H,9,11)
InChIKeyYCEZABLCIWYBSM-UHFFFAOYSA-N
MW381.98 g/mol
LogP1.56
Rot. Bonds5

About N-iodo-4-[iodomethyl(methyl)amino]butanamide

N-iodo-4-[iodomethyl(methyl)amino]butanamide (PubChem CID 118370506) has the molecular formula C6H12I2N2O and a molecular weight of 381.98 g/mol. Its IUPAC name is N-iodo-4-[iodomethyl(methyl)amino]butanamide.

Molecular Properties

Compound NameN-iodo-4-[iodomethyl(methyl)amino]butanamide
PubChem CID118370506
Molecular FormulaC6H12I2N2O
Molecular Weight381.98 g/mol
Exact Mass381.90
IUPAC NameN-iodo-4-[iodomethyl(methyl)amino]butanamide
SMILESCN(CI)CCCC(=O)NI
InChIInChI=1S/C6H12I2N2O/c1-10(5-7)4-2-3-6(11)9-8/h2-5H2,1H3,(H,9,11)
InChIKeyYCEZABLCIWYBSM-UHFFFAOYSA-N
XLogP1.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.98
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-iodooctanamide
CID 19040107
7-(iodoamino)-7-oxoheptanoyl iodide
CID 166844006
N-[2-[iodomethyl(methyl)amino]ethyl]acetamide
CID 142973324
4-[2,2-dimethylpropyl(methyl)amino]butanehydrazide
CID 63583890
2-[(5-hydrazinyl-5-oxopentyl)-methylamino]-N,N-dimethylacetamide
CID 63572911
N-methyl-3-[methyl-[3-(propan-2-ylamino)propyl]amino]propanamide
CID 106915767
5-[butyl(methyl)amino]pentanehydrazide
CID 63570432
methyl 4-(iodoamino)-4-oxobutanoate
CID 131969933
N-methyl-8-[methyl(propyl)amino]octanamide
CID 88909699
ethyl 2-[methyl-[4-(methylamino)-4-oxobutyl]amino]acetate
CID 63892113
3-[(4-methoxy-4-oxobutyl)-methylamino]propanoic acid;hydrochloride
CID 170901625
4-[methyl-[3-(methylcarbamoylamino)-3-oxopropyl]amino]butanoic acid
CID 55006167

Frequently Asked Questions

What is the IUPAC name of N-iodo-4-[iodomethyl(methyl)amino]butanamide?
The IUPAC name of N-iodo-4-[iodomethyl(methyl)amino]butanamide (CID 118370506) is N-iodo-4-[iodomethyl(methyl)amino]butanamide.
What is the SMILES notation for N-iodo-4-[iodomethyl(methyl)amino]butanamide?
The canonical SMILES for N-iodo-4-[iodomethyl(methyl)amino]butanamide is CN(CI)CCCC(=O)NI.
What is the InChIKey of N-iodo-4-[iodomethyl(methyl)amino]butanamide?
The InChIKey is YCEZABLCIWYBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12I2N2O/c1-10(5-7)4-2-3-6(11)9-8/h2-5H2,1H3,(H,9,11).
What are the key properties of N-iodo-4-[iodomethyl(methyl)amino]butanamide?
N-iodo-4-[iodomethyl(methyl)amino]butanamide has a molecular weight of 381.98 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-iodo-4-[iodomethyl(methyl)amino]butanamide is sourced from PubChem (CID 118370506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).