5-bromo-N-(4-hydroxy-2-methylbutan-2-yl)pentanamide

C10H20BrNO2 — CID 107910640

IUPAC5-bromo-N-(4-hydroxy-2-methylbutan-2-yl)pentanamide
SMILESCC(C)(CCO)NC(=O)CCCCBr
InChIInChI=1S/C10H20BrNO2/c1-10(2,6-8-13)12-9(14)5-3-4-7-11/h13H,3-8H2,1-2H3,(H,12,14)
InChIKeyHKMRQLATNHGXJI-UHFFFAOYSA-N
MW266.18 g/mol
LogP1.83
Rot. Bonds7

About 5-bromo-N-(4-hydroxy-2-methylbutan-2-yl)pentanamide

5-bromo-N-(4-hydroxy-2-methylbutan-2-yl)pentanamide (PubChem CID 107910640) has the molecular formula C10H20BrNO2 and a molecular weight of 266.18 g/mol. Its IUPAC name is 5-bromo-N-(4-hydroxy-2-methylbutan-2-yl)pentanamide.

Molecular Properties

Compound Name5-bromo-N-(4-hydroxy-2-methylbutan-2-yl)pentanamide
PubChem CID107910640
Molecular FormulaC10H20BrNO2
Molecular Weight266.18 g/mol
Exact Mass265.07
IUPAC Name5-bromo-N-(4-hydroxy-2-methylbutan-2-yl)pentanamide
SMILESCC(C)(CCO)NC(=O)CCCCBr
InChIInChI=1S/C10H20BrNO2/c1-10(2,6-8-13)12-9(14)5-3-4-7-11/h13H,3-8H2,1-2H3,(H,12,14)
InChIKeyHKMRQLATNHGXJI-UHFFFAOYSA-N
XLogP1.83
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.18
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-(2-methyl-4-phenylbutan-2-yl)pentanamide
CID 107910587
N-(4-hydroxy-2-methylbutan-2-yl)-3,3-dimethylbutanamide
CID 58875139
5-bromo-N-[3-(tert-butylamino)-3-oxopropyl]pentanamide
CID 107910537
4-hydroxy-N-(2-methylbutan-2-yl)butanamide
CID 79204830
N-(4-hydroxy-2-methylbutan-2-yl)-4-(4-methylphenoxy)butanamide
CID 115968838
5-bromo-N-methylpentanamide
CID 19971018
32-bromo-N-hydroxydotriacontanamide
CID 87685342
20-bromo-N-hydroxyicosanamide
CID 87683991
N-(4-hydroxy-2-methylbutan-2-yl)-3-phenylpropanamide
CID 115870187
N,N'-ditert-butylhexanediamide
CID 3593481
2-acetamido-N-(4-hydroxy-2-methylbutan-2-yl)acetamide
CID 115968810
N-(1-hydroxy-2-methylpropan-2-yl)dodecanamide
CID 13410459

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-hydroxy-2-methylbutan-2-yl)pentanamide?
The IUPAC name of 5-bromo-N-(4-hydroxy-2-methylbutan-2-yl)pentanamide (CID 107910640) is 5-bromo-N-(4-hydroxy-2-methylbutan-2-yl)pentanamide.
What is the SMILES notation for 5-bromo-N-(4-hydroxy-2-methylbutan-2-yl)pentanamide?
The canonical SMILES for 5-bromo-N-(4-hydroxy-2-methylbutan-2-yl)pentanamide is CC(C)(CCO)NC(=O)CCCCBr.
What is the InChIKey of 5-bromo-N-(4-hydroxy-2-methylbutan-2-yl)pentanamide?
The InChIKey is HKMRQLATNHGXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrNO2/c1-10(2,6-8-13)12-9(14)5-3-4-7-11/h13H,3-8H2,1-2H3,(H,12,14).
What are the key properties of 5-bromo-N-(4-hydroxy-2-methylbutan-2-yl)pentanamide?
5-bromo-N-(4-hydroxy-2-methylbutan-2-yl)pentanamide has a molecular weight of 266.18 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-hydroxy-2-methylbutan-2-yl)pentanamide is sourced from PubChem (CID 107910640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).