2-bromo-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methylbutanamide

C10H20BrNO2 — CID 79248858

IUPAC2-bromo-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methylbutanamide
SMILESCC(C)C(Br)C(=O)N[C@H](CO)C(C)C
InChIInChI=1S/C10H20BrNO2/c1-6(2)8(5-13)12-10(14)9(11)7(3)4/h6-9,13H,5H2,1-4H3,(H,12,14)/t8-,9?/m1/s1
InChIKeyLUXNZCBYLIYXLC-VEDVMXKPSA-N
MW266.18 g/mol
LogP1.54
Rot. Bonds5

About 2-bromo-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methylbutanamide

2-bromo-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methylbutanamide (PubChem CID 79248858) has the molecular formula C10H20BrNO2 and a molecular weight of 266.18 g/mol. Its IUPAC name is 2-bromo-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methylbutanamide.

Molecular Properties

Compound Name2-bromo-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methylbutanamide
PubChem CID79248858
Molecular FormulaC10H20BrNO2
Molecular Weight266.18 g/mol
Exact Mass265.07
IUPAC Name2-bromo-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methylbutanamide
SMILESCC(C)C(Br)C(=O)N[C@H](CO)C(C)C
InChIInChI=1S/C10H20BrNO2/c1-6(2)8(5-13)12-10(14)9(11)7(3)4/h6-9,13H,5H2,1-4H3,(H,12,14)/t8-,9?/m1/s1
InChIKeyLUXNZCBYLIYXLC-VEDVMXKPSA-N
XLogP1.54
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.18
LogP ≤ 51.54
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

N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2-methylpropanamide
CID 39086818
2,2-difluoro-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 103513963
2-acetamido-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide
CID 79252281
(2S)-2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-3,3-dimethylbutanamide
CID 79250278
2-acetamido-N-(1-hydroxy-3-methylbutan-2-yl)-3-methylbutanamide
CID 79252016
2-bromo-N-(1-hydroxy-3-methoxypropan-2-yl)-3-methylbutanamide
CID 106186138
N-(1-hydroxy-3-methylbutan-2-yl)-2-methylpent-4-enamide
CID 13435877
2-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]pentanamide
CID 79249157
3,5-dibromo-N-(1-hydroxy-3-methylbutan-2-yl)benzamide
CID 107973108
N-(1-hydroxy-3-methylbutan-2-yl)-3-methylbutanamide
CID 74554703
2-chloro-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 79249423
N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2,2-dimethylpropanamide
CID 39086823

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methylbutanamide?
The IUPAC name of 2-bromo-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methylbutanamide (CID 79248858) is 2-bromo-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methylbutanamide.
What is the SMILES notation for 2-bromo-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methylbutanamide?
The canonical SMILES for 2-bromo-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methylbutanamide is CC(C)C(Br)C(=O)N[C@H](CO)C(C)C.
What is the InChIKey of 2-bromo-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methylbutanamide?
The InChIKey is LUXNZCBYLIYXLC-VEDVMXKPSA-N. The full InChI is InChI=1S/C10H20BrNO2/c1-6(2)8(5-13)12-10(14)9(11)7(3)4/h6-9,13H,5H2,1-4H3,(H,12,14)/t8-,9?/m1/s1.
What are the key properties of 2-bromo-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methylbutanamide?
2-bromo-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methylbutanamide has a molecular weight of 266.18 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methylbutanamide is sourced from PubChem (CID 79248858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).