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

C11H22BrNO2 — CID 106114985

IUPAC2-bromo-N-[2-(2-hydroxyethyl)pentyl]-2-methylpropanamide
SMILESCCCC(CCO)CNC(=O)C(C)(C)Br
InChIInChI=1S/C11H22BrNO2/c1-4-5-9(6-7-14)8-13-10(15)11(2,3)12/h9,14H,4-8H2,1-3H3,(H,13,15)
InChIKeyMDESGMUKPYOERB-UHFFFAOYSA-N
MW280.21 g/mol
LogP2.07
Rot. Bonds7

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

2-bromo-N-[2-(2-hydroxyethyl)pentyl]-2-methylpropanamide (PubChem CID 106114985) 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]-2-methylpropanamide.

Molecular Properties

Compound Name2-bromo-N-[2-(2-hydroxyethyl)pentyl]-2-methylpropanamide
PubChem CID106114985
Molecular FormulaC11H22BrNO2
Molecular Weight280.21 g/mol
Exact Mass279.08
IUPAC Name2-bromo-N-[2-(2-hydroxyethyl)pentyl]-2-methylpropanamide
SMILESCCCC(CCO)CNC(=O)C(C)(C)Br
InChIInChI=1S/C11H22BrNO2/c1-4-5-9(6-7-14)8-13-10(15)11(2,3)12/h9,14H,4-8H2,1-3H3,(H,13,15)
InChIKeyMDESGMUKPYOERB-UHFFFAOYSA-N
XLogP2.07
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
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

2-(ethylamino)-N-[2-(2-hydroxyethyl)pentyl]-2-methylpropanamide
CID 114145534
2-amino-3,3,3-trifluoro-N-[2-(2-hydroxyethyl)pentyl]-2-methylpropanamide
CID 106116606
(2R)-2-amino-N-[2-(2-hydroxyethyl)pentyl]-3,3-dimethylbutanamide
CID 106116615
2-cyano-N-[2-(2-hydroxyethyl)pentyl]-2-propylpentanamide
CID 106116834
1-ethyl-3-[2-(2-hydroxyethyl)pentyl]urea
CID 103708339
2-tert-butylsulfanyl-N-[2-(2-hydroxyethyl)pentyl]acetamide
CID 113248427
3,3,3-trifluoro-N-[2-(2-hydroxyethyl)pentyl]propanamide
CID 103725598
3-(tert-butylamino)-N-[2-(2-hydroxyethyl)pentyl]propanamide
CID 114145527
N-[2-(2-aminoethyl)pentyl]-2,2-dimethylpropanamide
CID 106116137
N-[2-(2-hydroxyethyl)pentyl]prop-2-ynamide
CID 103846773
N-[2-(2-hydroxyethyl)pentyl]-2-methylsulfanylacetamide
CID 103722907
N-[2-(2-hydroxyethyl)pentyl]-2-(methylamino)acetamide;hydrochloride
CID 120704813

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(2-hydroxyethyl)pentyl]-2-methylpropanamide?
The IUPAC name of 2-bromo-N-[2-(2-hydroxyethyl)pentyl]-2-methylpropanamide (CID 106114985) is 2-bromo-N-[2-(2-hydroxyethyl)pentyl]-2-methylpropanamide.
What is the SMILES notation for 2-bromo-N-[2-(2-hydroxyethyl)pentyl]-2-methylpropanamide?
The canonical SMILES for 2-bromo-N-[2-(2-hydroxyethyl)pentyl]-2-methylpropanamide is CCCC(CCO)CNC(=O)C(C)(C)Br.
What is the InChIKey of 2-bromo-N-[2-(2-hydroxyethyl)pentyl]-2-methylpropanamide?
The InChIKey is MDESGMUKPYOERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22BrNO2/c1-4-5-9(6-7-14)8-13-10(15)11(2,3)12/h9,14H,4-8H2,1-3H3,(H,13,15).
What are the key properties of 2-bromo-N-[2-(2-hydroxyethyl)pentyl]-2-methylpropanamide?
2-bromo-N-[2-(2-hydroxyethyl)pentyl]-2-methylpropanamide has a molecular weight of 280.21 g/mol, XLogP of 2.07, 7 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]-2-methylpropanamide is sourced from PubChem (CID 106114985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).