N-(4-iodobutyl)-2-methylpropanamide

C8H16INO — CID 106846400

IUPACN-(4-iodobutyl)-2-methylpropanamide
SMILESCC(C)C(=O)NCCCCI
InChIInChI=1S/C8H16INO/c1-7(2)8(11)10-6-4-3-5-9/h7H,3-6H2,1-2H3,(H,10,11)
InChIKeyLLXQDRDIPZQEFB-UHFFFAOYSA-N
MW269.13 g/mol
LogP1.97
Rot. Bonds5

About N-(4-iodobutyl)-2-methylpropanamide

N-(4-iodobutyl)-2-methylpropanamide (PubChem CID 106846400) has the molecular formula C8H16INO and a molecular weight of 269.13 g/mol. Its IUPAC name is N-(4-iodobutyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(4-iodobutyl)-2-methylpropanamide
PubChem CID106846400
Molecular FormulaC8H16INO
Molecular Weight269.13 g/mol
Exact Mass269.03
IUPAC NameN-(4-iodobutyl)-2-methylpropanamide
SMILESCC(C)C(=O)NCCCCI
InChIInChI=1S/C8H16INO/c1-7(2)8(11)10-6-4-3-5-9/h7H,3-6H2,1-2H3,(H,10,11)
InChIKeyLLXQDRDIPZQEFB-UHFFFAOYSA-N
XLogP1.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.13
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

2-methyl-N-[4-(methylamino)butyl]propanamide
CID 134337431
2-methyl-N-(6-methylheptyl)propanamide
CID 139441078
N-(7-aminoheptyl)-2-methylpropanamide
CID 89281092
2-methyl-N-(9-methyl-8-oxodecyl)propanamide
CID 167573684
N-(4-iodobutyl)carbamoyl iodide
CID 126602978
N-(3-aminopropyl)-2-methylpropanamide;hydrochloride
CID 71757297
[(2S)-1-[4-[[(2S)-2-azaniumylpropanoyl]amino]butylamino]-1-oxopropan-2-yl]azanium dichloride
CID 10494630
N-(4-bromopentyl)-2-methylpropanamide
CID 106130687
dimethyl-[3-(2-methylpropanoylamino)propyl]azanium chloride
CID 88863969
N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-methylpropanamide
CID 154982765
N-(aminomethyl)-2-methylpropanamide
CID 88582106
N-(6-iodohexyl)-3,4,4-trimethylpentanamide
CID 107848081

Frequently Asked Questions

What is the IUPAC name of N-(4-iodobutyl)-2-methylpropanamide?
The IUPAC name of N-(4-iodobutyl)-2-methylpropanamide (CID 106846400) is N-(4-iodobutyl)-2-methylpropanamide.
What is the SMILES notation for N-(4-iodobutyl)-2-methylpropanamide?
The canonical SMILES for N-(4-iodobutyl)-2-methylpropanamide is CC(C)C(=O)NCCCCI.
What is the InChIKey of N-(4-iodobutyl)-2-methylpropanamide?
The InChIKey is LLXQDRDIPZQEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16INO/c1-7(2)8(11)10-6-4-3-5-9/h7H,3-6H2,1-2H3,(H,10,11).
What are the key properties of N-(4-iodobutyl)-2-methylpropanamide?
N-(4-iodobutyl)-2-methylpropanamide has a molecular weight of 269.13 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodobutyl)-2-methylpropanamide is sourced from PubChem (CID 106846400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).