2-bromo-N-(1-hydroxy-4-methylpentan-2-yl)-3-methylbutanamide

C11H22BrNO2 — CID 61247316

IUPAC2-bromo-N-(1-hydroxy-4-methylpentan-2-yl)-3-methylbutanamide
SMILESCC(C)CC(CO)NC(=O)C(Br)C(C)C
InChIInChI=1S/C11H22BrNO2/c1-7(2)5-9(6-14)13-11(15)10(12)8(3)4/h7-10,14H,5-6H2,1-4H3,(H,13,15)
InChIKeyBXCAFQXKIVHUKI-UHFFFAOYSA-N
MW280.21 g/mol
LogP1.93
Rot. Bonds6

About 2-bromo-N-(1-hydroxy-4-methylpentan-2-yl)-3-methylbutanamide

2-bromo-N-(1-hydroxy-4-methylpentan-2-yl)-3-methylbutanamide (PubChem CID 61247316) has the molecular formula C11H22BrNO2 and a molecular weight of 280.21 g/mol. Its IUPAC name is 2-bromo-N-(1-hydroxy-4-methylpentan-2-yl)-3-methylbutanamide.

Molecular Properties

Compound Name2-bromo-N-(1-hydroxy-4-methylpentan-2-yl)-3-methylbutanamide
PubChem CID61247316
Molecular FormulaC11H22BrNO2
Molecular Weight280.21 g/mol
Exact Mass279.08
IUPAC Name2-bromo-N-(1-hydroxy-4-methylpentan-2-yl)-3-methylbutanamide
SMILESCC(C)CC(CO)NC(=O)C(Br)C(C)C
InChIInChI=1S/C11H22BrNO2/c1-7(2)5-9(6-14)13-11(15)10(12)8(3)4/h7-10,14H,5-6H2,1-4H3,(H,13,15)
InChIKeyBXCAFQXKIVHUKI-UHFFFAOYSA-N
XLogP1.93
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.21
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1-hydroxy-4-methylpentan-2-yl)-3-methylbutanamide?
The IUPAC name of 2-bromo-N-(1-hydroxy-4-methylpentan-2-yl)-3-methylbutanamide (CID 61247316) is 2-bromo-N-(1-hydroxy-4-methylpentan-2-yl)-3-methylbutanamide.
What is the SMILES notation for 2-bromo-N-(1-hydroxy-4-methylpentan-2-yl)-3-methylbutanamide?
The canonical SMILES for 2-bromo-N-(1-hydroxy-4-methylpentan-2-yl)-3-methylbutanamide is CC(C)CC(CO)NC(=O)C(Br)C(C)C.
What is the InChIKey of 2-bromo-N-(1-hydroxy-4-methylpentan-2-yl)-3-methylbutanamide?
The InChIKey is BXCAFQXKIVHUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22BrNO2/c1-7(2)5-9(6-14)13-11(15)10(12)8(3)4/h7-10,14H,5-6H2,1-4H3,(H,13,15).
What are the key properties of 2-bromo-N-(1-hydroxy-4-methylpentan-2-yl)-3-methylbutanamide?
2-bromo-N-(1-hydroxy-4-methylpentan-2-yl)-3-methylbutanamide has a molecular weight of 280.21 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(1-hydroxy-4-methylpentan-2-yl)-3-methylbutanamide is sourced from PubChem (CID 61247316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).