2-bromo-N-[2-(2-hydroxyethyl)pentyl]butanamide

C11H22BrNO2 — CID 106114980

IUPAC2-bromo-N-[2-(2-hydroxyethyl)pentyl]butanamide
SMILESCCCC(CCO)CNC(=O)C(Br)CC
InChIInChI=1S/C11H22BrNO2/c1-3-5-9(6-7-14)8-13-11(15)10(12)4-2/h9-10,14H,3-8H2,1-2H3,(H,13,15)
InChIKeyCNGPDHUNOZJENO-UHFFFAOYSA-N
MW280.21 g/mol
LogP2.07
Rot. Bonds8

About 2-bromo-N-[2-(2-hydroxyethyl)pentyl]butanamide

2-bromo-N-[2-(2-hydroxyethyl)pentyl]butanamide (PubChem CID 106114980) has the molecular formula C11H22BrNO2 and a molecular weight of 280.21 g/mol. Its IUPAC name is 2-bromo-N-[2-(2-hydroxyethyl)pentyl]butanamide.

Molecular Properties

Compound Name2-bromo-N-[2-(2-hydroxyethyl)pentyl]butanamide
PubChem CID106114980
Molecular FormulaC11H22BrNO2
Molecular Weight280.21 g/mol
Exact Mass279.08
IUPAC Name2-bromo-N-[2-(2-hydroxyethyl)pentyl]butanamide
SMILESCCCC(CCO)CNC(=O)C(Br)CC
InChIInChI=1S/C11H22BrNO2/c1-3-5-9(6-7-14)8-13-11(15)10(12)4-2/h9-10,14H,3-8H2,1-2H3,(H,13,15)
InChIKeyCNGPDHUNOZJENO-UHFFFAOYSA-N
XLogP2.07
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.21
LogP ≤ 52.07
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]butanamide?
The IUPAC name of 2-bromo-N-[2-(2-hydroxyethyl)pentyl]butanamide (CID 106114980) is 2-bromo-N-[2-(2-hydroxyethyl)pentyl]butanamide.
What is the SMILES notation for 2-bromo-N-[2-(2-hydroxyethyl)pentyl]butanamide?
The canonical SMILES for 2-bromo-N-[2-(2-hydroxyethyl)pentyl]butanamide is CCCC(CCO)CNC(=O)C(Br)CC.
What is the InChIKey of 2-bromo-N-[2-(2-hydroxyethyl)pentyl]butanamide?
The InChIKey is CNGPDHUNOZJENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22BrNO2/c1-3-5-9(6-7-14)8-13-11(15)10(12)4-2/h9-10,14H,3-8H2,1-2H3,(H,13,15).
What are the key properties of 2-bromo-N-[2-(2-hydroxyethyl)pentyl]butanamide?
2-bromo-N-[2-(2-hydroxyethyl)pentyl]butanamide has a molecular weight of 280.21 g/mol, XLogP of 2.07, 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]butanamide is sourced from PubChem (CID 106114980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).