2-[(1S)-4,4-dimethylcyclododecyl]-N-iodoacetamide

C16H30INO — CID 163758198

IUPAC2-[(1S)-4,4-dimethylcyclododecyl]-N-iodoacetamide
SMILESCC1(C)CCCCCCCC[C@H](CC(=O)NI)CC1
InChIInChI=1S/C16H30INO/c1-16(2)11-8-6-4-3-5-7-9-14(10-12-16)13-15(19)18-17/h14H,3-13H2,1-2H3,(H,18,19)/t14-/m0/s1
InChIKeyLVXARTFJTYHCHF-AWEZNQCLSA-N
MW379.33 g/mol
LogP5.40
Rot. Bonds2

About 2-[(1S)-4,4-dimethylcyclododecyl]-N-iodoacetamide

2-[(1S)-4,4-dimethylcyclododecyl]-N-iodoacetamide (PubChem CID 163758198) has the molecular formula C16H30INO and a molecular weight of 379.33 g/mol. Its IUPAC name is 2-[(1S)-4,4-dimethylcyclododecyl]-N-iodoacetamide.

Molecular Properties

Compound Name2-[(1S)-4,4-dimethylcyclododecyl]-N-iodoacetamide
PubChem CID163758198
Molecular FormulaC16H30INO
Molecular Weight379.33 g/mol
Exact Mass379.14
IUPAC Name2-[(1S)-4,4-dimethylcyclododecyl]-N-iodoacetamide
SMILESCC1(C)CCCCCCCC[C@H](CC(=O)NI)CC1
InChIInChI=1S/C16H30INO/c1-16(2)11-8-6-4-3-5-7-9-14(10-12-16)13-15(19)18-17/h14H,3-13H2,1-2H3,(H,18,19)/t14-/m0/s1
InChIKeyLVXARTFJTYHCHF-AWEZNQCLSA-N
XLogP5.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.33
LogP ≤ 55.40
H-Bond Donors ≤ 51
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-(2-amino-2-oxoethyl)-2-(4,4-dimethylcyclohexyl)acetamide
CID 10013935
2-cyclohexyl-N-[1-(hydroxymethyl)cyclopentyl]acetamide
CID 62518543
1-[(2-cyclopentylacetyl)amino]cycloheptane-1-carboxylic acid
CID 60758045
1,1-dimethyl-4-propylcyclotridecane
CID 123608299
2-cycloheptyl-N-[3-(methylamino)propyl]acetamide;hydrochloride
CID 119432481
N-[1-(bromomethyl)cyclohexyl]-2-cyclopentylacetamide
CID 114314127
N-[1-(chloromethyl)cyclopentyl]-2-cycloheptylacetamide
CID 114459061
1-[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]cycloheptane-1-carboxylic acid
CID 120538570
2-cyclobutyl-1-(1-methylcyclohexyl)ethanone
CID 106829597
3-[[2-(4,4-dimethylcyclohexyl)acetyl]amino]butanoic acid
CID 120522699
2-cyclopentyl-N-[1-(hydroxymethyl)cyclopentyl]acetamide
CID 62517307
1-[(2-cyclopentylacetyl)amino]cyclopentane-1-carboxylic acid
CID 60748185

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-4,4-dimethylcyclododecyl]-N-iodoacetamide?
The IUPAC name of 2-[(1S)-4,4-dimethylcyclododecyl]-N-iodoacetamide (CID 163758198) is 2-[(1S)-4,4-dimethylcyclododecyl]-N-iodoacetamide.
What is the SMILES notation for 2-[(1S)-4,4-dimethylcyclododecyl]-N-iodoacetamide?
The canonical SMILES for 2-[(1S)-4,4-dimethylcyclododecyl]-N-iodoacetamide is CC1(C)CCCCCCCC[C@H](CC(=O)NI)CC1.
What is the InChIKey of 2-[(1S)-4,4-dimethylcyclododecyl]-N-iodoacetamide?
The InChIKey is LVXARTFJTYHCHF-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H30INO/c1-16(2)11-8-6-4-3-5-7-9-14(10-12-16)13-15(19)18-17/h14H,3-13H2,1-2H3,(H,18,19)/t14-/m0/s1.
What are the key properties of 2-[(1S)-4,4-dimethylcyclododecyl]-N-iodoacetamide?
2-[(1S)-4,4-dimethylcyclododecyl]-N-iodoacetamide has a molecular weight of 379.33 g/mol, XLogP of 5.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-4,4-dimethylcyclododecyl]-N-iodoacetamide is sourced from PubChem (CID 163758198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).