N-(6-acetamidohexyl)-2-iodoacetamide

C10H19IN2O2 — CID 89340654

IUPACN-(6-acetamidohexyl)-2-iodoacetamide
SMILESCC(=O)NCCCCCCNC(=O)CI
InChIInChI=1S/C10H19IN2O2/c1-9(14)12-6-4-2-3-5-7-13-10(15)8-11/h2-8H2,1H3,(H,12,14)(H,13,15)
InChIKeySGUMUROMADHNEL-UHFFFAOYSA-N
MW326.18 g/mol
LogP1.23
Rot. Bonds8

About N-(6-acetamidohexyl)-2-iodoacetamide

N-(6-acetamidohexyl)-2-iodoacetamide (PubChem CID 89340654) has the molecular formula C10H19IN2O2 and a molecular weight of 326.18 g/mol. Its IUPAC name is N-(6-acetamidohexyl)-2-iodoacetamide.

Molecular Properties

Compound NameN-(6-acetamidohexyl)-2-iodoacetamide
PubChem CID89340654
Molecular FormulaC10H19IN2O2
Molecular Weight326.18 g/mol
Exact Mass326.05
IUPAC NameN-(6-acetamidohexyl)-2-iodoacetamide
SMILESCC(=O)NCCCCCCNC(=O)CI
InChIInChI=1S/C10H19IN2O2/c1-9(14)12-6-4-2-3-5-7-13-10(15)8-11/h2-8H2,1H3,(H,12,14)(H,13,15)
InChIKeySGUMUROMADHNEL-UHFFFAOYSA-N
XLogP1.23
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.18
LogP ≤ 51.23
H-Bond Donors ≤ 52
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-(6-aminohexyl)-2-iodoacetamide
CID 129106348
N-(3-acetamidopropyl)acetamide
CID 5147555
N-nonadecylacetamide
CID 54574805
N-hexylacetamide
CID 24129
N-pentadecylacetamide
CID 12009452
5-[(2-iodoacetyl)amino]pentanoic acid
CID 3080900
N-(4-acetamidobutyl)butanamide
CID 110417477
N-[4-(4-acetamidobutylamino)butyl]acetamide
CID 10332037
N-[4-(4-acetamidobutylcarbamoylamino)butyl]acetamide
CID 144980902
6-[6-(6-acetamidohexanoylamino)hexanoylamino]hexanoic acid
CID 59079185
6-acetamido-N-propylhexanamide
CID 60654879
2-iodo-N-[(5S)-5-[(2-iodoacetyl)amino]-6-oxoheptyl]acetamide
CID 118136970

Frequently Asked Questions

What is the IUPAC name of N-(6-acetamidohexyl)-2-iodoacetamide?
The IUPAC name of N-(6-acetamidohexyl)-2-iodoacetamide (CID 89340654) is N-(6-acetamidohexyl)-2-iodoacetamide.
What is the SMILES notation for N-(6-acetamidohexyl)-2-iodoacetamide?
The canonical SMILES for N-(6-acetamidohexyl)-2-iodoacetamide is CC(=O)NCCCCCCNC(=O)CI.
What is the InChIKey of N-(6-acetamidohexyl)-2-iodoacetamide?
The InChIKey is SGUMUROMADHNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19IN2O2/c1-9(14)12-6-4-2-3-5-7-13-10(15)8-11/h2-8H2,1H3,(H,12,14)(H,13,15).
What are the key properties of N-(6-acetamidohexyl)-2-iodoacetamide?
N-(6-acetamidohexyl)-2-iodoacetamide has a molecular weight of 326.18 g/mol, XLogP of 1.23, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetamidohexyl)-2-iodoacetamide is sourced from PubChem (CID 89340654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).