2-bromo-N-[2-(2-hydroxyethyl)pentyl]-3-methylbutanamide

C12H24BrNO2 — CID 106114958

IUPAC2-bromo-N-[2-(2-hydroxyethyl)pentyl]-3-methylbutanamide
SMILESCCCC(CCO)CNC(=O)C(Br)C(C)C
InChIInChI=1S/C12H24BrNO2/c1-4-5-10(6-7-15)8-14-12(16)11(13)9(2)3/h9-11,15H,4-8H2,1-3H3,(H,14,16)
InChIKeyZEOPMWHYAGYTFA-UHFFFAOYSA-N
MW294.23 g/mol
LogP2.32
Rot. Bonds8

About 2-bromo-N-[2-(2-hydroxyethyl)pentyl]-3-methylbutanamide

2-bromo-N-[2-(2-hydroxyethyl)pentyl]-3-methylbutanamide (PubChem CID 106114958) has the molecular formula C12H24BrNO2 and a molecular weight of 294.23 g/mol. Its IUPAC name is 2-bromo-N-[2-(2-hydroxyethyl)pentyl]-3-methylbutanamide.

Molecular Properties

Compound Name2-bromo-N-[2-(2-hydroxyethyl)pentyl]-3-methylbutanamide
PubChem CID106114958
Molecular FormulaC12H24BrNO2
Molecular Weight294.23 g/mol
Exact Mass293.10
IUPAC Name2-bromo-N-[2-(2-hydroxyethyl)pentyl]-3-methylbutanamide
SMILESCCCC(CCO)CNC(=O)C(Br)C(C)C
InChIInChI=1S/C12H24BrNO2/c1-4-5-10(6-7-15)8-14-12(16)11(13)9(2)3/h9-11,15H,4-8H2,1-3H3,(H,14,16)
InChIKeyZEOPMWHYAGYTFA-UHFFFAOYSA-N
XLogP2.32
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 ≤ 52.32
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

N-[2-(2-hydroxyethyl)pentyl]acetamide
CID 89984153
N-ethyl-2-(2-hydroxyethyl)pentanamide
CID 140067926
(2R)-2-bromo-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methylpentanamide
CID 10016484
(2R)-2-bromo-N-(3-hydroxy-2,2-dimethylpropyl)-4-methylpentanamide
CID 10588795
(2S)-2-bromo-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]hexanamide
CID 10780106
2-bromo-N-(4-hydroxycyclohexyl)-3-methylbutanamide
CID 20119216
(2R)-N-[(3S,5S)-6-hydroxy-3,5-dimethylhexyl]-2-methylbutanamide
CID 56956848
2-bromo-N-(1-hydroxy-4-methylpentan-2-yl)-3-methylbutanamide
CID 61247316
2-bromo-N-(1-hydroxy-4-methylpentan-2-yl)butanamide
CID 62854541
2-bromo-N-[(2-hydroxycyclohexyl)methyl]-3-methylbutanamide
CID 64928921
2-bromo-N-[(2-hydroxycyclohexyl)methyl]butanamide
CID 64929284
2-bromo-N-[(2-hydroxycyclopentyl)methyl]butanamide
CID 65835793

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(2-hydroxyethyl)pentyl]-3-methylbutanamide?
The IUPAC name of 2-bromo-N-[2-(2-hydroxyethyl)pentyl]-3-methylbutanamide (CID 106114958) is 2-bromo-N-[2-(2-hydroxyethyl)pentyl]-3-methylbutanamide.
What is the SMILES notation for 2-bromo-N-[2-(2-hydroxyethyl)pentyl]-3-methylbutanamide?
The canonical SMILES for 2-bromo-N-[2-(2-hydroxyethyl)pentyl]-3-methylbutanamide is CCCC(CCO)CNC(=O)C(Br)C(C)C.
What is the InChIKey of 2-bromo-N-[2-(2-hydroxyethyl)pentyl]-3-methylbutanamide?
The InChIKey is ZEOPMWHYAGYTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24BrNO2/c1-4-5-10(6-7-15)8-14-12(16)11(13)9(2)3/h9-11,15H,4-8H2,1-3H3,(H,14,16).
What are the key properties of 2-bromo-N-[2-(2-hydroxyethyl)pentyl]-3-methylbutanamide?
2-bromo-N-[2-(2-hydroxyethyl)pentyl]-3-methylbutanamide has a molecular weight of 294.23 g/mol, XLogP of 2.32, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(2-hydroxyethyl)pentyl]-3-methylbutanamide is sourced from PubChem (CID 106114958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).