3-bromo-N-(5-hydroxy-2,2-dimethylpentyl)propanamide

C10H20BrNO2 — CID 106146044

IUPAC3-bromo-N-(5-hydroxy-2,2-dimethylpentyl)propanamide
SMILESCC(C)(CCCO)CNC(=O)CCBr
InChIInChI=1S/C10H20BrNO2/c1-10(2,5-3-7-13)8-12-9(14)4-6-11/h13H,3-8H2,1-2H3,(H,12,14)
InChIKeySKHBGQXFQGKURF-UHFFFAOYSA-N
MW266.18 g/mol
LogP1.69
Rot. Bonds7

About 3-bromo-N-(5-hydroxy-2,2-dimethylpentyl)propanamide

3-bromo-N-(5-hydroxy-2,2-dimethylpentyl)propanamide (PubChem CID 106146044) has the molecular formula C10H20BrNO2 and a molecular weight of 266.18 g/mol. Its IUPAC name is 3-bromo-N-(5-hydroxy-2,2-dimethylpentyl)propanamide.

Molecular Properties

Compound Name3-bromo-N-(5-hydroxy-2,2-dimethylpentyl)propanamide
PubChem CID106146044
Molecular FormulaC10H20BrNO2
Molecular Weight266.18 g/mol
Exact Mass265.07
IUPAC Name3-bromo-N-(5-hydroxy-2,2-dimethylpentyl)propanamide
SMILESCC(C)(CCCO)CNC(=O)CCBr
InChIInChI=1S/C10H20BrNO2/c1-10(2,5-3-7-13)8-12-9(14)4-6-11/h13H,3-8H2,1-2H3,(H,12,14)
InChIKeySKHBGQXFQGKURF-UHFFFAOYSA-N
XLogP1.69
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 ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(5-hydroxy-2,2-dimethylpentyl)butanamide
CID 106148312
N-(5-hydroxy-2,2-dimethylpentyl)-4-methoxybutanamide
CID 103899565
2-amino-N-(5-hydroxy-2,2-dimethylpentyl)acetamide
CID 106148100
N-(5-hydroxy-2,2-dimethylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103899562
N-(5-hydroxy-2,2-dimethylpentyl)hept-6-ynamide
CID 113349837
3-(2,2-difluoroethoxy)-N-(5-hydroxy-2,2-dimethylpentyl)propanamide
CID 103526832
3-amino-N-(5-hydroxy-2,2-dimethylpentyl)-3-methylbutanamide
CID 106148146
N-(5-bromo-2,2-dimethylpentyl)heptanamide
CID 106145537
N-[2-[(5-hydroxy-2,2-dimethylpentyl)amino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 103899932
3-amino-N-(5-hydroxy-2,2-dimethylpentyl)butanamide
CID 106148250
3-chloro-N-(4-hydroxy-2,2-dimethylbutyl)propanamide
CID 106145976
N-(2,2-dimethylpropyl)-5-hydroxypentanamide
CID 79209264

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(5-hydroxy-2,2-dimethylpentyl)propanamide?
The IUPAC name of 3-bromo-N-(5-hydroxy-2,2-dimethylpentyl)propanamide (CID 106146044) is 3-bromo-N-(5-hydroxy-2,2-dimethylpentyl)propanamide.
What is the SMILES notation for 3-bromo-N-(5-hydroxy-2,2-dimethylpentyl)propanamide?
The canonical SMILES for 3-bromo-N-(5-hydroxy-2,2-dimethylpentyl)propanamide is CC(C)(CCCO)CNC(=O)CCBr.
What is the InChIKey of 3-bromo-N-(5-hydroxy-2,2-dimethylpentyl)propanamide?
The InChIKey is SKHBGQXFQGKURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrNO2/c1-10(2,5-3-7-13)8-12-9(14)4-6-11/h13H,3-8H2,1-2H3,(H,12,14).
What are the key properties of 3-bromo-N-(5-hydroxy-2,2-dimethylpentyl)propanamide?
3-bromo-N-(5-hydroxy-2,2-dimethylpentyl)propanamide has a molecular weight of 266.18 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(5-hydroxy-2,2-dimethylpentyl)propanamide is sourced from PubChem (CID 106146044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).