N-(5-iodo-4-oxohexyl)acetamide

C8H14INO2 — CID 171526467

IUPACN-(5-iodo-4-oxohexyl)acetamide
SMILESCC(=O)NCCCC(=O)C(C)I
InChIInChI=1S/C8H14INO2/c1-6(9)8(12)4-3-5-10-7(2)11/h6H,3-5H2,1-2H3,(H,10,11)
InChIKeyBNJWYGJGXUHXCM-UHFFFAOYSA-N
MW283.11 g/mol
LogP1.30
Rot. Bonds5

About N-(5-iodo-4-oxohexyl)acetamide

N-(5-iodo-4-oxohexyl)acetamide (PubChem CID 171526467) has the molecular formula C8H14INO2 and a molecular weight of 283.11 g/mol. Its IUPAC name is N-(5-iodo-4-oxohexyl)acetamide.

Molecular Properties

Compound NameN-(5-iodo-4-oxohexyl)acetamide
PubChem CID171526467
Molecular FormulaC8H14INO2
Molecular Weight283.11 g/mol
Exact Mass283.01
IUPAC NameN-(5-iodo-4-oxohexyl)acetamide
SMILESCC(=O)NCCCC(=O)C(C)I
InChIInChI=1S/C8H14INO2/c1-6(9)8(12)4-3-5-10-7(2)11/h6H,3-5H2,1-2H3,(H,10,11)
InChIKeyBNJWYGJGXUHXCM-UHFFFAOYSA-N
XLogP1.30
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.11
LogP ≤ 51.30
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

N-(3-acetamidopropyl)acetamide
CID 5147555
N-(4-methyl-3-oxopentyl)acetamide
CID 20600831
lithium 4-acetamidobutanoate
CID 23665991
N-(4-methyl-3-oxopentyl)acetamide;molecular hydrogen
CID 144886744
N-[4-(4-acetamidobutylamino)butyl]acetamide
CID 10332037
N-[4-(4-acetamidobutylcarbamoylamino)butyl]acetamide
CID 144980902
3-acetamidopropanoyloxidanium
CID 154009858
2-(4-acetamidobutanoylamino)-5-[(5-methyl-4-oxohexyl)amino]-5-oxopentanoic acid
CID 144904902
N-(8-oxononyl)acetamide
CID 58114719
4-(2-acetamidoethylcarbamoylamino)butanoic acid
CID 61201692
4-acetamido-N-[4-oxo-4-[[4-oxo-4-[[4-oxo-4-(propylamino)butyl]amino]butyl]amino]butyl]butanamide
CID 71430120
CID 59075972
CID 59075972

Frequently Asked Questions

What is the IUPAC name of N-(5-iodo-4-oxohexyl)acetamide?
The IUPAC name of N-(5-iodo-4-oxohexyl)acetamide (CID 171526467) is N-(5-iodo-4-oxohexyl)acetamide.
What is the SMILES notation for N-(5-iodo-4-oxohexyl)acetamide?
The canonical SMILES for N-(5-iodo-4-oxohexyl)acetamide is CC(=O)NCCCC(=O)C(C)I.
What is the InChIKey of N-(5-iodo-4-oxohexyl)acetamide?
The InChIKey is BNJWYGJGXUHXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14INO2/c1-6(9)8(12)4-3-5-10-7(2)11/h6H,3-5H2,1-2H3,(H,10,11).
What are the key properties of N-(5-iodo-4-oxohexyl)acetamide?
N-(5-iodo-4-oxohexyl)acetamide has a molecular weight of 283.11 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-iodo-4-oxohexyl)acetamide is sourced from PubChem (CID 171526467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).