(2S)-2-bromo-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]hexanamide

C12H24BrNO2 — CID 10780106

IUPAC(2S)-2-bromo-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]hexanamide
SMILESCCCC[C@H](Br)C(=O)N[C@@H](CO)CC(C)C
InChIInChI=1S/C12H24BrNO2/c1-4-5-6-11(13)12(16)14-10(8-15)7-9(2)3/h9-11,15H,4-8H2,1-3H3,(H,14,16)/t10-,11+/m1/s1
InChIKeyQFVZDXIRDKBKFF-MNOVXSKESA-N
MW294.23 g/mol
LogP2.46
Rot. Bonds8

About (2S)-2-bromo-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]hexanamide

(2S)-2-bromo-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]hexanamide (PubChem CID 10780106) has the molecular formula C12H24BrNO2 and a molecular weight of 294.23 g/mol. Its IUPAC name is (2S)-2-bromo-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]hexanamide.

Molecular Properties

Compound Name(2S)-2-bromo-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]hexanamide
PubChem CID10780106
Molecular FormulaC12H24BrNO2
Molecular Weight294.23 g/mol
Exact Mass293.10
IUPAC Name(2S)-2-bromo-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]hexanamide
SMILESCCCC[C@H](Br)C(=O)N[C@@H](CO)CC(C)C
InChIInChI=1S/C12H24BrNO2/c1-4-5-6-11(13)12(16)14-10(8-15)7-9(2)3/h9-11,15H,4-8H2,1-3H3,(H,14,16)/t10-,11+/m1/s1
InChIKeyQFVZDXIRDKBKFF-MNOVXSKESA-N
XLogP2.46
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.23
LogP ≤ 52.46
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 (2S)-2-bromo-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]hexanamide?
The IUPAC name of (2S)-2-bromo-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]hexanamide (CID 10780106) is (2S)-2-bromo-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]hexanamide.
What is the SMILES notation for (2S)-2-bromo-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]hexanamide?
The canonical SMILES for (2S)-2-bromo-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]hexanamide is CCCC[C@H](Br)C(=O)N[C@@H](CO)CC(C)C.
What is the InChIKey of (2S)-2-bromo-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]hexanamide?
The InChIKey is QFVZDXIRDKBKFF-MNOVXSKESA-N. The full InChI is InChI=1S/C12H24BrNO2/c1-4-5-6-11(13)12(16)14-10(8-15)7-9(2)3/h9-11,15H,4-8H2,1-3H3,(H,14,16)/t10-,11+/m1/s1.
What are the key properties of (2S)-2-bromo-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]hexanamide?
(2S)-2-bromo-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]hexanamide has a molecular weight of 294.23 g/mol, XLogP of 2.46, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-bromo-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]hexanamide is sourced from PubChem (CID 10780106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).