2-bromo-N-[3-(hydroxymethyl)pentan-3-yl]butanamide

C10H20BrNO2 — CID 62856180

IUPAC2-bromo-N-[3-(hydroxymethyl)pentan-3-yl]butanamide
SMILESCCC(Br)C(=O)NC(CC)(CC)CO
InChIInChI=1S/C10H20BrNO2/c1-4-8(11)9(14)12-10(5-2,6-3)7-13/h8,13H,4-7H2,1-3H3,(H,12,14)
InChIKeyZAMQPBDEYCCNKL-UHFFFAOYSA-N
MW266.18 g/mol
LogP1.83
Rot. Bonds6

About 2-bromo-N-[3-(hydroxymethyl)pentan-3-yl]butanamide

2-bromo-N-[3-(hydroxymethyl)pentan-3-yl]butanamide (PubChem CID 62856180) has the molecular formula C10H20BrNO2 and a molecular weight of 266.18 g/mol. Its IUPAC name is 2-bromo-N-[3-(hydroxymethyl)pentan-3-yl]butanamide.

Molecular Properties

Compound Name2-bromo-N-[3-(hydroxymethyl)pentan-3-yl]butanamide
PubChem CID62856180
Molecular FormulaC10H20BrNO2
Molecular Weight266.18 g/mol
Exact Mass265.07
IUPAC Name2-bromo-N-[3-(hydroxymethyl)pentan-3-yl]butanamide
SMILESCCC(Br)C(=O)NC(CC)(CC)CO
InChIInChI=1S/C10H20BrNO2/c1-4-8(11)9(14)12-10(5-2,6-3)7-13/h8,13H,4-7H2,1-3H3,(H,12,14)
InChIKeyZAMQPBDEYCCNKL-UHFFFAOYSA-N
XLogP1.83
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 ≤ 51.83
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

2-bromo-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]propanamide
CID 107906051
2-bromo-N-(3-methylpentan-3-yl)butanamide
CID 106328360
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methoxypropanamide
CID 103891013
(2R)-2-amino-N-[3-(hydroxymethyl)pentan-3-yl]-3,3-dimethylbutanamide
CID 103929829
2-chloro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]propanamide
CID 107865103
N-[3-(hydroxymethyl)pentan-3-yl]-2-(propylsulfonylamino)propanamide
CID 55082542
2-acetamido-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]propanamide
CID 103891023
N-[3-(bromomethyl)pentan-3-yl]-2-ethylbutanamide
CID 114315218
N-[3-(hydroxymethyl)pentan-3-yl]-2-methoxy-2-phenylacetamide
CID 62521933
2-bromo-N-methylbutanamide;hydrochloride
CID 154809614
[1-hydroxy-2-(hydroxymethyl)butan-2-yl]carbamic acid
CID 54273301
methyl 2-bromo-3-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]propanoate
CID 107866398

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[3-(hydroxymethyl)pentan-3-yl]butanamide?
The IUPAC name of 2-bromo-N-[3-(hydroxymethyl)pentan-3-yl]butanamide (CID 62856180) is 2-bromo-N-[3-(hydroxymethyl)pentan-3-yl]butanamide.
What is the SMILES notation for 2-bromo-N-[3-(hydroxymethyl)pentan-3-yl]butanamide?
The canonical SMILES for 2-bromo-N-[3-(hydroxymethyl)pentan-3-yl]butanamide is CCC(Br)C(=O)NC(CC)(CC)CO.
What is the InChIKey of 2-bromo-N-[3-(hydroxymethyl)pentan-3-yl]butanamide?
The InChIKey is ZAMQPBDEYCCNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrNO2/c1-4-8(11)9(14)12-10(5-2,6-3)7-13/h8,13H,4-7H2,1-3H3,(H,12,14).
What are the key properties of 2-bromo-N-[3-(hydroxymethyl)pentan-3-yl]butanamide?
2-bromo-N-[3-(hydroxymethyl)pentan-3-yl]butanamide has a molecular weight of 266.18 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[3-(hydroxymethyl)pentan-3-yl]butanamide is sourced from PubChem (CID 62856180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).