4-iodo-N-methoxybutanamide

C5H10INO2 — CID 141466825

IUPAC4-iodo-N-methoxybutanamide
SMILESCONC(=O)CCCI
InChIInChI=1S/C5H10INO2/c1-9-7-5(8)3-2-4-6/h2-4H2,1H3,(H,7,8)
InChIKeyZPSWGNOCUOWXDF-UHFFFAOYSA-N
MW243.04 g/mol
LogP0.88
Rot. Bonds4

About 4-iodo-N-methoxybutanamide

4-iodo-N-methoxybutanamide (PubChem CID 141466825) has the molecular formula C5H10INO2 and a molecular weight of 243.04 g/mol. Its IUPAC name is 4-iodo-N-methoxybutanamide.

Molecular Properties

Compound Name4-iodo-N-methoxybutanamide
PubChem CID141466825
Molecular FormulaC5H10INO2
Molecular Weight243.04 g/mol
Exact Mass242.98
IUPAC Name4-iodo-N-methoxybutanamide
SMILESCONC(=O)CCCI
InChIInChI=1S/C5H10INO2/c1-9-7-5(8)3-2-4-6/h2-4H2,1H3,(H,7,8)
InChIKeyZPSWGNOCUOWXDF-UHFFFAOYSA-N
XLogP0.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.04
LogP ≤ 50.88
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(methoxyamino)-5-oxopentanoic acid
CID 64974146
N-methoxy-5-oxopentanamide
CID 91086399
6-chloro-N-methoxyhexanamide
CID 90073847
N-methoxy-4-oxobutanamide
CID 126994320
N-methoxy-9-oxononanamide
CID 144851599
[4-(methoxyamino)-4-oxobutyl]phosphonic acid
CID 71458600
4-(methoxyamino)-4-oxobutanoic acid
CID 64974135
N-methoxy-7-methyloctanamide
CID 174552254
N-methoxy-4-methylpent-4-enamide
CID 135084610
5-[[4,6-bis[5-(methoxyamino)-5-oxopentoxy]-1,3,5-triazin-2-yl]oxy]-N-methoxypentanamide
CID 90074306
N-methoxyicos-4-enamide
CID 173091875
methyl 10-iododecanoate
CID 11758755

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-methoxybutanamide?
The IUPAC name of 4-iodo-N-methoxybutanamide (CID 141466825) is 4-iodo-N-methoxybutanamide.
What is the SMILES notation for 4-iodo-N-methoxybutanamide?
The canonical SMILES for 4-iodo-N-methoxybutanamide is CONC(=O)CCCI.
What is the InChIKey of 4-iodo-N-methoxybutanamide?
The InChIKey is ZPSWGNOCUOWXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10INO2/c1-9-7-5(8)3-2-4-6/h2-4H2,1H3,(H,7,8).
What are the key properties of 4-iodo-N-methoxybutanamide?
4-iodo-N-methoxybutanamide has a molecular weight of 243.04 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N-methoxybutanamide is sourced from PubChem (CID 141466825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).