2-bromo-N-(1-hydroxy-4-methylpentan-2-yl)butanamide

C10H20BrNO2 — CID 62854541

IUPAC2-bromo-N-(1-hydroxy-4-methylpentan-2-yl)butanamide
SMILESCCC(Br)C(=O)NC(CO)CC(C)C
InChIInChI=1S/C10H20BrNO2/c1-4-9(11)10(14)12-8(6-13)5-7(2)3/h7-9,13H,4-6H2,1-3H3,(H,12,14)
InChIKeyLQPNGDVSWWTUBN-UHFFFAOYSA-N
MW266.18 g/mol
LogP1.68
Rot. Bonds6

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

2-bromo-N-(1-hydroxy-4-methylpentan-2-yl)butanamide (PubChem CID 62854541) has the molecular formula C10H20BrNO2 and a molecular weight of 266.18 g/mol. Its IUPAC name is 2-bromo-N-(1-hydroxy-4-methylpentan-2-yl)butanamide.

Molecular Properties

Compound Name2-bromo-N-(1-hydroxy-4-methylpentan-2-yl)butanamide
PubChem CID62854541
Molecular FormulaC10H20BrNO2
Molecular Weight266.18 g/mol
Exact Mass265.07
IUPAC Name2-bromo-N-(1-hydroxy-4-methylpentan-2-yl)butanamide
SMILESCCC(Br)C(=O)NC(CO)CC(C)C
InChIInChI=1S/C10H20BrNO2/c1-4-9(11)10(14)12-8(6-13)5-7(2)3/h7-9,13H,4-6H2,1-3H3,(H,12,14)
InChIKeyLQPNGDVSWWTUBN-UHFFFAOYSA-N
XLogP1.68
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.18
LogP ≤ 51.68
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)butanamide?
The IUPAC name of 2-bromo-N-(1-hydroxy-4-methylpentan-2-yl)butanamide (CID 62854541) is 2-bromo-N-(1-hydroxy-4-methylpentan-2-yl)butanamide.
What is the SMILES notation for 2-bromo-N-(1-hydroxy-4-methylpentan-2-yl)butanamide?
The canonical SMILES for 2-bromo-N-(1-hydroxy-4-methylpentan-2-yl)butanamide is CCC(Br)C(=O)NC(CO)CC(C)C.
What is the InChIKey of 2-bromo-N-(1-hydroxy-4-methylpentan-2-yl)butanamide?
The InChIKey is LQPNGDVSWWTUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrNO2/c1-4-9(11)10(14)12-8(6-13)5-7(2)3/h7-9,13H,4-6H2,1-3H3,(H,12,14).
What are the key properties of 2-bromo-N-(1-hydroxy-4-methylpentan-2-yl)butanamide?
2-bromo-N-(1-hydroxy-4-methylpentan-2-yl)butanamide has a molecular weight of 266.18 g/mol, XLogP of 1.68, 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)butanamide is sourced from PubChem (CID 62854541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).