N-butyl-N-iodoacetamide

C6H12INO — CID 18767604

IUPACN-butyl-N-iodoacetamide
SMILESCCCCN(I)C(C)=O
InChIInChI=1S/C6H12INO/c1-3-4-5-8(7)6(2)9/h3-5H2,1-2H3
InChIKeyCJUYXFISIKSAGS-UHFFFAOYSA-N
MW241.07 g/mol
LogP1.99
Rot. Bonds3

About N-butyl-N-iodoacetamide

N-butyl-N-iodoacetamide (PubChem CID 18767604) has the molecular formula C6H12INO and a molecular weight of 241.07 g/mol. Its IUPAC name is N-butyl-N-iodoacetamide.

Molecular Properties

Compound NameN-butyl-N-iodoacetamide
PubChem CID18767604
Molecular FormulaC6H12INO
Molecular Weight241.07 g/mol
Exact Mass241.00
IUPAC NameN-butyl-N-iodoacetamide
SMILESCCCCN(I)C(C)=O
InChIInChI=1S/C6H12INO/c1-3-4-5-8(7)6(2)9/h3-5H2,1-2H3
InChIKeyCJUYXFISIKSAGS-UHFFFAOYSA-N
XLogP1.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.07
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

N-butyl-N-methylacetamide;ethane
CID 142088805
N-butyl-N-heptylacetamide
CID 91713167
N-heptyl-N-hydroxyacetamide
CID 71399613
N-[bis[acetyl(butyl)amino]-methylsilyl]-N-butylacetamide
CID 87222114
N-butyl-N-iodobutan-1-amine
CID 19800845
N'-acetyl-N'-butylacetohydrazide
CID 141194485
N-butyl-N-methylsulfonylacetamide
CID 45377177
N-(2-bromoethyl)-N-butylacetamide
CID 80659482
N,N-di(icosyl)acetamide
CID 57063838
N-acetyl-N-decylacetamide
CID 57029087
N-heptadecyl-N-tridecylacetamide
CID 172567567
N,N-di(pentadecyl)acetamide
CID 174726671

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-iodoacetamide?
The IUPAC name of N-butyl-N-iodoacetamide (CID 18767604) is N-butyl-N-iodoacetamide.
What is the SMILES notation for N-butyl-N-iodoacetamide?
The canonical SMILES for N-butyl-N-iodoacetamide is CCCCN(I)C(C)=O.
What is the InChIKey of N-butyl-N-iodoacetamide?
The InChIKey is CJUYXFISIKSAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12INO/c1-3-4-5-8(7)6(2)9/h3-5H2,1-2H3.
What are the key properties of N-butyl-N-iodoacetamide?
N-butyl-N-iodoacetamide has a molecular weight of 241.07 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-iodoacetamide is sourced from PubChem (CID 18767604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).