2-iodo-N-(4-methylhexan-2-yl)-N-propan-2-ylacetamide

C12H24INO — CID 166800442

IUPAC2-iodo-N-(4-methylhexan-2-yl)-N-propan-2-ylacetamide
SMILESCCC(C)CC(C)N(C(=O)CI)C(C)C
InChIInChI=1S/C12H24INO/c1-6-10(4)7-11(5)14(9(2)3)12(15)8-13/h9-11H,6-8H2,1-5H3
InChIKeyGGRLVKVLHIYEKE-UHFFFAOYSA-N
MW325.23 g/mol
LogP3.48
Rot. Bonds6

About 2-iodo-N-(4-methylhexan-2-yl)-N-propan-2-ylacetamide

2-iodo-N-(4-methylhexan-2-yl)-N-propan-2-ylacetamide (PubChem CID 166800442) has the molecular formula C12H24INO and a molecular weight of 325.23 g/mol. Its IUPAC name is 2-iodo-N-(4-methylhexan-2-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-iodo-N-(4-methylhexan-2-yl)-N-propan-2-ylacetamide
PubChem CID166800442
Molecular FormulaC12H24INO
Molecular Weight325.23 g/mol
Exact Mass325.09
IUPAC Name2-iodo-N-(4-methylhexan-2-yl)-N-propan-2-ylacetamide
SMILESCCC(C)CC(C)N(C(=O)CI)C(C)C
InChIInChI=1S/C12H24INO/c1-6-10(4)7-11(5)14(9(2)3)12(15)8-13/h9-11H,6-8H2,1-5H3
InChIKeyGGRLVKVLHIYEKE-UHFFFAOYSA-N
XLogP3.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.23
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-(4-methylhexan-2-yl)-N-propan-2-ylacetamide?
The IUPAC name of 2-iodo-N-(4-methylhexan-2-yl)-N-propan-2-ylacetamide (CID 166800442) is 2-iodo-N-(4-methylhexan-2-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-iodo-N-(4-methylhexan-2-yl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-iodo-N-(4-methylhexan-2-yl)-N-propan-2-ylacetamide is CCC(C)CC(C)N(C(=O)CI)C(C)C.
What is the InChIKey of 2-iodo-N-(4-methylhexan-2-yl)-N-propan-2-ylacetamide?
The InChIKey is GGRLVKVLHIYEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24INO/c1-6-10(4)7-11(5)14(9(2)3)12(15)8-13/h9-11H,6-8H2,1-5H3.
What are the key properties of 2-iodo-N-(4-methylhexan-2-yl)-N-propan-2-ylacetamide?
2-iodo-N-(4-methylhexan-2-yl)-N-propan-2-ylacetamide has a molecular weight of 325.23 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-(4-methylhexan-2-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 166800442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).