2-iodo-N-pentan-2-ylbutanamide

C9H18INO — CID 149238445

IUPAC2-iodo-N-pentan-2-ylbutanamide
SMILESCCCC(C)NC(=O)C(I)CC
InChIInChI=1S/C9H18INO/c1-4-6-7(3)11-9(12)8(10)5-2/h7-8H,4-6H2,1-3H3,(H,11,12)
InChIKeyXLRQHVAUYGDLLA-UHFFFAOYSA-N
MW283.15 g/mol
LogP2.50
Rot. Bonds5

About 2-iodo-N-pentan-2-ylbutanamide

2-iodo-N-pentan-2-ylbutanamide (PubChem CID 149238445) has the molecular formula C9H18INO and a molecular weight of 283.15 g/mol. Its IUPAC name is 2-iodo-N-pentan-2-ylbutanamide.

Molecular Properties

Compound Name2-iodo-N-pentan-2-ylbutanamide
PubChem CID149238445
Molecular FormulaC9H18INO
Molecular Weight283.15 g/mol
Exact Mass283.04
IUPAC Name2-iodo-N-pentan-2-ylbutanamide
SMILESCCCC(C)NC(=O)C(I)CC
InChIInChI=1S/C9H18INO/c1-4-6-7(3)11-9(12)8(10)5-2/h7-8H,4-6H2,1-3H3,(H,11,12)
InChIKeyXLRQHVAUYGDLLA-UHFFFAOYSA-N
XLogP2.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.15
LogP ≤ 52.50
H-Bond Donors ≤ 51
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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Related Compounds

2-bromo-N-pentan-2-ylpropanamide
CID 81222887
N-butan-2-yl-2-propylpentanamide
CID 115532227
(2S)-2-amino-3-methyl-N-pentan-2-ylbutanamide
CID 61148058
2-(1-hydroxybutan-2-ylamino)-N-pentan-2-ylpropanamide
CID 43416457
2-[[1-oxo-1-(pentan-2-ylamino)propan-2-yl]amino]propanoic acid
CID 43467311
2-(hexan-2-ylamino)-N-pentan-2-ylpropanamide
CID 62201162
2-(3-methylpentan-3-ylamino)-N-pentan-2-ylpropanamide
CID 106328554
2-(3-hydroxybutan-2-ylsulfanyl)-N-pentan-2-ylpropanamide
CID 103705836
N-butan-2-yl-2-propylhexanamide
CID 173163059
N-(4-hydroxybutan-2-yl)-2-methylpentanamide
CID 81042782
2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-N-pentan-2-ylpropanamide
CID 103108377
2-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]sulfonylbutanoic acid
CID 104539562

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-pentan-2-ylbutanamide?
The IUPAC name of 2-iodo-N-pentan-2-ylbutanamide (CID 149238445) is 2-iodo-N-pentan-2-ylbutanamide.
What is the SMILES notation for 2-iodo-N-pentan-2-ylbutanamide?
The canonical SMILES for 2-iodo-N-pentan-2-ylbutanamide is CCCC(C)NC(=O)C(I)CC.
What is the InChIKey of 2-iodo-N-pentan-2-ylbutanamide?
The InChIKey is XLRQHVAUYGDLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18INO/c1-4-6-7(3)11-9(12)8(10)5-2/h7-8H,4-6H2,1-3H3,(H,11,12).
What are the key properties of 2-iodo-N-pentan-2-ylbutanamide?
2-iodo-N-pentan-2-ylbutanamide has a molecular weight of 283.15 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-pentan-2-ylbutanamide is sourced from PubChem (CID 149238445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).