3-(5-iodo-4-oxopentoxy)-N-methylpropanamide

C9H16INO3 — CID 159105630

IUPAC3-(5-iodo-4-oxopentoxy)-N-methylpropanamide
SMILESCNC(=O)CCOCCCC(=O)CI
InChIInChI=1S/C9H16INO3/c1-11-9(13)4-6-14-5-2-3-8(12)7-10/h2-7H2,1H3,(H,11,13)
InChIKeyKDVOGQTXUCFIIN-UHFFFAOYSA-N
MW313.14 g/mol
LogP0.92
Rot. Bonds8

About 3-(5-iodo-4-oxopentoxy)-N-methylpropanamide

3-(5-iodo-4-oxopentoxy)-N-methylpropanamide (PubChem CID 159105630) has the molecular formula C9H16INO3 and a molecular weight of 313.14 g/mol. Its IUPAC name is 3-(5-iodo-4-oxopentoxy)-N-methylpropanamide.

Molecular Properties

Compound Name3-(5-iodo-4-oxopentoxy)-N-methylpropanamide
PubChem CID159105630
Molecular FormulaC9H16INO3
Molecular Weight313.14 g/mol
Exact Mass313.02
IUPAC Name3-(5-iodo-4-oxopentoxy)-N-methylpropanamide
SMILESCNC(=O)CCOCCCC(=O)CI
InChIInChI=1S/C9H16INO3/c1-11-9(13)4-6-14-5-2-3-8(12)7-10/h2-7H2,1H3,(H,11,13)
InChIKeyKDVOGQTXUCFIIN-UHFFFAOYSA-N
XLogP0.92
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.14
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(5-iodo-4-oxopentoxy)-N-methylpropanamide 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

3-[2-(2-methoxyethoxy)ethoxy]-N-methylpropanamide
CID 58019725
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-methylpropanamide
CID 129207576
4-[3-(2-methoxyethoxy)propoxy]-N-methylbutanamide
CID 134579969
methane;2-[2-(4-methoxybutoxy)ethoxy]-N-methylacetamide;6-(4-methoxybutoxy)-N-methylhexanamide;2-[3-(4-methoxybutoxy)propoxy]-N-methylacetamide;3-[4-(2-methoxyethoxy)butoxy]-N-methylpropanamide;5-[2-(2-methoxyethoxy)ethoxy]-N-methylpentanamide;8-(2-methoxyethoxy)-N-methyloctanamide;2-[5-(2-methoxyethoxy)pentoxy]-N-methylacetamide;4-[3-(2-methoxyethoxy)propoxy]-N-methylbutanamide;2-[2-(5-methoxypentoxy)ethoxy]-N-methylacetamide;5-(5-methoxypentoxy)-N-methylpentanamide;2-[4-(3-methoxypropoxy)butoxy]-N-methylacetamide;7-(3-methoxypropoxy)-N-methylheptanamide
CID 157408835
2-(4-methoxybutoxy)-N-methylacetamide;4-(4-methoxybutoxy)-N-methylbutanamide;3-(4-methoxybutoxy)-N-methylpropanamide;2-[4-(2-methoxyethoxy)butoxy]-N-methylacetamide;3-[2-(2-methoxyethoxy)ethoxy]-N-methylpropanamide;4-(2-methoxyethoxy)-N-methylbutanamide;6-(2-methoxyethoxy)-N-methylhexanamide;5-(2-methoxyethoxy)-N-methylpentanamide;2-[3-(2-methoxyethoxy)propoxy]-N-methylacetamide;2-(6-methoxyhexoxy)-N-methylacetamide;2-methoxy-N-methylacetamide;7-methoxy-N-methylheptanamide;6-methoxy-N-methylhexanamide;5-methoxy-N-methylpentanamide;2-(5-methoxypentoxy)-N-methylacetamide;3-(5-methoxypentoxy)-N-methylpropanamide;2-[2-(3-methoxypropoxy)ethoxy]-N-methylacetamide;4-(3-methoxypropoxy)-N-methylbutanamide;5-(3-methoxypropoxy)-N-methylpentanamide;3-(3-methoxypropoxy)-N-methylpropanamide
CID 167686196
2-(4-methoxybutoxy)-N-methylacetamide;3-(4-methoxybutoxy)-N-methylpropanamide;3-[2-(2-methoxyethoxy)ethoxy]-N-methylpropanamide;4-(2-methoxyethoxy)-N-methylbutanamide;5-(2-methoxyethoxy)-N-methylpentanamide;3-(2-methoxyethoxy)-N-methylpropanamide;2-[3-(2-methoxyethoxy)propoxy]-N-methylacetamide;2-(6-methoxyhexoxy)-N-methylacetamide;2-methoxy-N-methylacetamide;4-methoxy-N-methylbutanamide;7-methoxy-N-methylheptanamide;6-methoxy-N-methylhexanamide;5-methoxy-N-methylpentanamide;3-methoxy-N-methylpropanamide;2-(5-methoxypentoxy)-N-methylacetamide;2-[2-(3-methoxypropoxy)ethoxy]-N-methylacetamide;2-(3-methoxypropoxy)-N-methylacetamide;4-(3-methoxypropoxy)-N-methylbutanamide;3-(3-methoxypropoxy)-N-methylpropanamide
CID 158926562
2-(4-methoxybutoxy)-N-methylacetamide;3-(4-methoxybutoxy)-N-methylpropanamide;4-(2-methoxyethoxy)-N-methylbutanamide;5-(2-methoxyethoxy)-N-methylpentanamide;3-(2-methoxyethoxy)-N-methylpropanamide;2-methoxy-N-methylacetamide;4-methoxy-N-methylbutanamide;7-methoxy-N-methylheptanamide;6-methoxy-N-methylhexanamide;5-methoxy-N-methylpentanamide;3-methoxy-N-methylpropanamide;2-(5-methoxypentoxy)-N-methylacetamide;2-(3-methoxypropoxy)-N-methylacetamide;4-(3-methoxypropoxy)-N-methylbutanamide;3-(3-methoxypropoxy)-N-methylpropanamide
CID 159265781
2-(4-methoxybutoxy)-N-methylacetamide;3-(4-methoxybutoxy)-N-methylpropanamide;2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-methylacetamide;4-(2-methoxyethoxy)-N-methylbutanamide;5-(2-methoxyethoxy)-N-methylpentanamide;3-(2-methoxyethoxy)-N-methylpropanamide;2-[3-(2-methoxyethoxy)propoxy]-N-methylacetamide;2-methoxy-N-methylacetamide;4-methoxy-N-methylbutanamide;7-methoxy-N-methylheptanamide;6-methoxy-N-methylhexanamide;5-methoxy-N-methylpentanamide;3-methoxy-N-methylpropanamide;2-(5-methoxypentoxy)-N-methylacetamide;2-(3-methoxypropoxy)-N-methylacetamide;4-(3-methoxypropoxy)-N-methylbutanamide;3-(3-methoxypropoxy)-N-methylpropanamide
CID 157428278
N-methyl-3-[2-[2-(propanoylamino)ethoxy]ethoxy]propanamide
CID 163393368
1-hydroxy-5-(5-hydroxy-4-oxopentoxy)pentan-2-one
CID 158830330
ethane;3-methoxy-N-methylpropanamide
CID 178014406
8-hydroxy-N-methyloctanamide;methane;N-methyl-3-[2-(methylamino)-2-oxoethoxy]propanamide
CID 158050690

Frequently Asked Questions

What is the IUPAC name of 3-(5-iodo-4-oxopentoxy)-N-methylpropanamide?
The IUPAC name of 3-(5-iodo-4-oxopentoxy)-N-methylpropanamide (CID 159105630) is 3-(5-iodo-4-oxopentoxy)-N-methylpropanamide.
What is the SMILES notation for 3-(5-iodo-4-oxopentoxy)-N-methylpropanamide?
The canonical SMILES for 3-(5-iodo-4-oxopentoxy)-N-methylpropanamide is CNC(=O)CCOCCCC(=O)CI.
What is the InChIKey of 3-(5-iodo-4-oxopentoxy)-N-methylpropanamide?
The InChIKey is KDVOGQTXUCFIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16INO3/c1-11-9(13)4-6-14-5-2-3-8(12)7-10/h2-7H2,1H3,(H,11,13).
What are the key properties of 3-(5-iodo-4-oxopentoxy)-N-methylpropanamide?
3-(5-iodo-4-oxopentoxy)-N-methylpropanamide has a molecular weight of 313.14 g/mol, XLogP of 0.92, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-iodo-4-oxopentoxy)-N-methylpropanamide is sourced from PubChem (CID 159105630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).