2-chloro-N-(8-hydroxyoctyl)acetamide;ethane

C12H26ClNO2 — CID 142307280

IUPAC2-chloro-N-(8-hydroxyoctyl)acetamide;ethane
SMILESCC.O=C(CCl)NCCCCCCCCO
InChIInChI=1S/C10H20ClNO2.C2H6/c11-9-10(14)12-7-5-3-1-2-4-6-8-13;1-2/h13H,1-9H2,(H,12,14);1-2H3
InChIKeyATTUUTRKLYFIBF-UHFFFAOYSA-N
MW251.80 g/mol
LogP2.70
Rot. Bonds9

About 2-chloro-N-(8-hydroxyoctyl)acetamide;ethane

2-chloro-N-(8-hydroxyoctyl)acetamide;ethane (PubChem CID 142307280) has the molecular formula C12H26ClNO2 and a molecular weight of 251.80 g/mol. Its IUPAC name is 2-chloro-N-(8-hydroxyoctyl)acetamide;ethane.

Molecular Properties

Compound Name2-chloro-N-(8-hydroxyoctyl)acetamide;ethane
PubChem CID142307280
Molecular FormulaC12H26ClNO2
Molecular Weight251.80 g/mol
Exact Mass251.17
IUPAC Name2-chloro-N-(8-hydroxyoctyl)acetamide;ethane
SMILESCC.O=C(CCl)NCCCCCCCCO
InChIInChI=1S/C10H20ClNO2.C2H6/c11-9-10(14)12-7-5-3-1-2-4-6-8-13;1-2/h13H,1-9H2,(H,12,14);1-2H3
InChIKeyATTUUTRKLYFIBF-UHFFFAOYSA-N
XLogP2.70
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.80
LogP ≤ 52.70
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-[7-[(2-chloroacetyl)amino]heptyl]propanamide
CID 163838006
2-chloro-N-dotriacontylacetamide
CID 163206961
N-(6-aminohexyl)-2-chloroacetamide
CID 14484874
2-(dimethylamino)-N-(18-hydroxyoctadecyl)acetamide
CID 163653558
2-(dimethylamino)-N-(8-hydroxyoctyl)acetamide
CID 154671930
N-(4-hydroxybutyl)-2-(methylamino)acetamide
CID 106841932
N-butyl-6-hydroxyhexanamide;ethane
CID 145076581
6-hydroxy-N-tetradecylhexanamide
CID 20542961
18-hydroxy-N-octadecyloctadecanamide
CID 10984479
4-(6-hydroxyhexylamino)-4-oxobutanoic acid
CID 82675255
N-(4-hydroxybutyl)-4-oxopentanamide
CID 58331315
3-amino-N-(5-hydroxypentyl)-3-methylbutanamide
CID 107317591

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(8-hydroxyoctyl)acetamide;ethane?
The IUPAC name of 2-chloro-N-(8-hydroxyoctyl)acetamide;ethane (CID 142307280) is 2-chloro-N-(8-hydroxyoctyl)acetamide;ethane.
What is the SMILES notation for 2-chloro-N-(8-hydroxyoctyl)acetamide;ethane?
The canonical SMILES for 2-chloro-N-(8-hydroxyoctyl)acetamide;ethane is CC.O=C(CCl)NCCCCCCCCO.
What is the InChIKey of 2-chloro-N-(8-hydroxyoctyl)acetamide;ethane?
The InChIKey is ATTUUTRKLYFIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO2.C2H6/c11-9-10(14)12-7-5-3-1-2-4-6-8-13;1-2/h13H,1-9H2,(H,12,14);1-2H3.
What are the key properties of 2-chloro-N-(8-hydroxyoctyl)acetamide;ethane?
2-chloro-N-(8-hydroxyoctyl)acetamide;ethane has a molecular weight of 251.80 g/mol, XLogP of 2.70, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(8-hydroxyoctyl)acetamide;ethane is sourced from PubChem (CID 142307280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).