N-(5-iodopentyl)-2-propoxyacetamide

C10H20INO2 — CID 107941565

IUPACN-(5-iodopentyl)-2-propoxyacetamide
SMILESCCCOCC(=O)NCCCCCI
InChIInChI=1S/C10H20INO2/c1-2-8-14-9-10(13)12-7-5-3-4-6-11/h2-9H2,1H3,(H,12,13)
InChIKeyCJYIISJDMVAMGO-UHFFFAOYSA-N
MW313.18 g/mol
LogP2.13
Rot. Bonds9

About N-(5-iodopentyl)-2-propoxyacetamide

N-(5-iodopentyl)-2-propoxyacetamide (PubChem CID 107941565) has the molecular formula C10H20INO2 and a molecular weight of 313.18 g/mol. Its IUPAC name is N-(5-iodopentyl)-2-propoxyacetamide.

Molecular Properties

Compound NameN-(5-iodopentyl)-2-propoxyacetamide
PubChem CID107941565
Molecular FormulaC10H20INO2
Molecular Weight313.18 g/mol
Exact Mass313.05
IUPAC NameN-(5-iodopentyl)-2-propoxyacetamide
SMILESCCCOCC(=O)NCCCCCI
InChIInChI=1S/C10H20INO2/c1-2-8-14-9-10(13)12-7-5-3-4-6-11/h2-9H2,1H3,(H,12,13)
InChIKeyCJYIISJDMVAMGO-UHFFFAOYSA-N
XLogP2.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.18
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'}

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Related Compounds

2-ethoxy-N-(6-iodohexyl)acetamide
CID 107848061
2-[2-(7-iodoheptylamino)-2-oxoethoxy]ethyl hypoiodite
CID 130361099
N-(11-oxododecyl)-2-propoxyacetamide
CID 20692360
N-butyl-2-[2-[2-[[2-(2-propoxyethoxy)acetyl]amino]ethoxy]ethoxy]acetamide
CID 89176591
2-(2-propoxyethoxy)-N-propylacetamide
CID 149463198
N-(6-iodohexyl)butanamide
CID 107848130
N-(2-bromoethyl)-2-propoxyacetamide
CID 107941217
N-[3-(2-chloroethoxy)propyl]-2-propoxyacetamide
CID 106306751
2-[2-(2-aminoethoxy)ethoxy]-N-hexylacetamide
CID 144607638
2-[2-(dimethylamino)ethoxy]-N-hexylacetamide
CID 170742428
N-[3-(6-iodohexylamino)-3-oxopropyl]butanamide
CID 167061555
2-[2-(2-butoxyethoxy)ethoxy]-N-butylacetamide
CID 155190113

Frequently Asked Questions

What is the IUPAC name of N-(5-iodopentyl)-2-propoxyacetamide?
The IUPAC name of N-(5-iodopentyl)-2-propoxyacetamide (CID 107941565) is N-(5-iodopentyl)-2-propoxyacetamide.
What is the SMILES notation for N-(5-iodopentyl)-2-propoxyacetamide?
The canonical SMILES for N-(5-iodopentyl)-2-propoxyacetamide is CCCOCC(=O)NCCCCCI.
What is the InChIKey of N-(5-iodopentyl)-2-propoxyacetamide?
The InChIKey is CJYIISJDMVAMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20INO2/c1-2-8-14-9-10(13)12-7-5-3-4-6-11/h2-9H2,1H3,(H,12,13).
What are the key properties of N-(5-iodopentyl)-2-propoxyacetamide?
N-(5-iodopentyl)-2-propoxyacetamide has a molecular weight of 313.18 g/mol, XLogP of 2.13, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-iodopentyl)-2-propoxyacetamide is sourced from PubChem (CID 107941565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).