(2R)-2-bromo-N-(3-hydroxy-2,2-dimethylpropyl)-4-methylpentanamide

C11H22BrNO2 — CID 10588795

IUPAC(2R)-2-bromo-N-(3-hydroxy-2,2-dimethylpropyl)-4-methylpentanamide
SMILESCC(C)C[C@@H](Br)C(=O)NCC(C)(C)CO
InChIInChI=1S/C11H22BrNO2/c1-8(2)5-9(12)10(15)13-6-11(3,4)7-14/h8-9,14H,5-7H2,1-4H3,(H,13,15)/t9-/m1/s1
InChIKeyDYODPUGQSZPJKD-SECBINFHSA-N
MW280.21 g/mol
LogP1.93
Rot. Bonds6

About (2R)-2-bromo-N-(3-hydroxy-2,2-dimethylpropyl)-4-methylpentanamide

(2R)-2-bromo-N-(3-hydroxy-2,2-dimethylpropyl)-4-methylpentanamide (PubChem CID 10588795) has the molecular formula C11H22BrNO2 and a molecular weight of 280.21 g/mol. Its IUPAC name is (2R)-2-bromo-N-(3-hydroxy-2,2-dimethylpropyl)-4-methylpentanamide.

Molecular Properties

Compound Name(2R)-2-bromo-N-(3-hydroxy-2,2-dimethylpropyl)-4-methylpentanamide
PubChem CID10588795
Molecular FormulaC11H22BrNO2
Molecular Weight280.21 g/mol
Exact Mass279.08
IUPAC Name(2R)-2-bromo-N-(3-hydroxy-2,2-dimethylpropyl)-4-methylpentanamide
SMILESCC(C)C[C@@H](Br)C(=O)NCC(C)(C)CO
InChIInChI=1S/C11H22BrNO2/c1-8(2)5-9(12)10(15)13-6-11(3,4)7-14/h8-9,14H,5-7H2,1-4H3,(H,13,15)/t9-/m1/s1
InChIKeyDYODPUGQSZPJKD-SECBINFHSA-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 (2R)-2-bromo-N-(3-hydroxy-2,2-dimethylpropyl)-4-methylpentanamide?
The IUPAC name of (2R)-2-bromo-N-(3-hydroxy-2,2-dimethylpropyl)-4-methylpentanamide (CID 10588795) is (2R)-2-bromo-N-(3-hydroxy-2,2-dimethylpropyl)-4-methylpentanamide.
What is the SMILES notation for (2R)-2-bromo-N-(3-hydroxy-2,2-dimethylpropyl)-4-methylpentanamide?
The canonical SMILES for (2R)-2-bromo-N-(3-hydroxy-2,2-dimethylpropyl)-4-methylpentanamide is CC(C)C[C@@H](Br)C(=O)NCC(C)(C)CO.
What is the InChIKey of (2R)-2-bromo-N-(3-hydroxy-2,2-dimethylpropyl)-4-methylpentanamide?
The InChIKey is DYODPUGQSZPJKD-SECBINFHSA-N. The full InChI is InChI=1S/C11H22BrNO2/c1-8(2)5-9(12)10(15)13-6-11(3,4)7-14/h8-9,14H,5-7H2,1-4H3,(H,13,15)/t9-/m1/s1.
What are the key properties of (2R)-2-bromo-N-(3-hydroxy-2,2-dimethylpropyl)-4-methylpentanamide?
(2R)-2-bromo-N-(3-hydroxy-2,2-dimethylpropyl)-4-methylpentanamide 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 (2R)-2-bromo-N-(3-hydroxy-2,2-dimethylpropyl)-4-methylpentanamide is sourced from PubChem (CID 10588795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).