5-bromo-N-[2-ethyl-2-(hydroxymethyl)butyl]pentanamide

C12H24BrNO2 — CID 106253070

IUPAC5-bromo-N-[2-ethyl-2-(hydroxymethyl)butyl]pentanamide
SMILESCCC(CC)(CO)CNC(=O)CCCCBr
InChIInChI=1S/C12H24BrNO2/c1-3-12(4-2,10-15)9-14-11(16)7-5-6-8-13/h15H,3-10H2,1-2H3,(H,14,16)
InChIKeyQURIRGPWGHTXJM-UHFFFAOYSA-N
MW294.23 g/mol
LogP2.47
Rot. Bonds9

About 5-bromo-N-[2-ethyl-2-(hydroxymethyl)butyl]pentanamide

5-bromo-N-[2-ethyl-2-(hydroxymethyl)butyl]pentanamide (PubChem CID 106253070) has the molecular formula C12H24BrNO2 and a molecular weight of 294.23 g/mol. Its IUPAC name is 5-bromo-N-[2-ethyl-2-(hydroxymethyl)butyl]pentanamide.

Molecular Properties

Compound Name5-bromo-N-[2-ethyl-2-(hydroxymethyl)butyl]pentanamide
PubChem CID106253070
Molecular FormulaC12H24BrNO2
Molecular Weight294.23 g/mol
Exact Mass293.10
IUPAC Name5-bromo-N-[2-ethyl-2-(hydroxymethyl)butyl]pentanamide
SMILESCCC(CC)(CO)CNC(=O)CCCCBr
InChIInChI=1S/C12H24BrNO2/c1-3-12(4-2,10-15)9-14-11(16)7-5-6-8-13/h15H,3-10H2,1-2H3,(H,14,16)
InChIKeyQURIRGPWGHTXJM-UHFFFAOYSA-N
XLogP2.47
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.23
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[2-ethyl-2-(hydroxymethyl)butyl]octanamide
CID 113331570
N-[2-ethyl-2-(hydroxymethyl)butyl]-4,4,4-trifluorobutanamide
CID 103843928
N-[2-(aminomethyl)-2-ethylbutyl]hexanamide
CID 106250199
5-bromo-N-(2-cyano-2-methylpropyl)pentanamide
CID 107910644
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-propoxyacetamide
CID 103843568
N-[2-ethyl-2-(hydroxymethyl)butyl]-4-thiophen-2-ylbutanamide
CID 103843539
N-(2,2-diethylbutyl)-4-(methylamino)butanamide;hydrochloride
CID 119822011
N-(5-bromo-2,2-dimethylpentyl)heptanamide
CID 106145537
11-bromo-N-[6-(11-bromoundecanoylamino)hexyl]undecanamide
CID 87848232
5-bromo-N-(2-methyl-2-phenylpropyl)pentanamide
CID 107909678
5-bromo-N-(3-hydroxybutyl)pentanamide
CID 107910185
5-bromo-N-methylpentanamide
CID 19971018

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-ethyl-2-(hydroxymethyl)butyl]pentanamide?
The IUPAC name of 5-bromo-N-[2-ethyl-2-(hydroxymethyl)butyl]pentanamide (CID 106253070) is 5-bromo-N-[2-ethyl-2-(hydroxymethyl)butyl]pentanamide.
What is the SMILES notation for 5-bromo-N-[2-ethyl-2-(hydroxymethyl)butyl]pentanamide?
The canonical SMILES for 5-bromo-N-[2-ethyl-2-(hydroxymethyl)butyl]pentanamide is CCC(CC)(CO)CNC(=O)CCCCBr.
What is the InChIKey of 5-bromo-N-[2-ethyl-2-(hydroxymethyl)butyl]pentanamide?
The InChIKey is QURIRGPWGHTXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24BrNO2/c1-3-12(4-2,10-15)9-14-11(16)7-5-6-8-13/h15H,3-10H2,1-2H3,(H,14,16).
What are the key properties of 5-bromo-N-[2-ethyl-2-(hydroxymethyl)butyl]pentanamide?
5-bromo-N-[2-ethyl-2-(hydroxymethyl)butyl]pentanamide has a molecular weight of 294.23 g/mol, XLogP of 2.47, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-ethyl-2-(hydroxymethyl)butyl]pentanamide is sourced from PubChem (CID 106253070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).