2-cyano-N-(6-hydroxyhexyl)butanamide

C11H20N2O2 — CID 107853067

IUPAC2-cyano-N-(6-hydroxyhexyl)butanamide
SMILESCCC(C#N)C(=O)NCCCCCCO
InChIInChI=1S/C11H20N2O2/c1-2-10(9-12)11(15)13-7-5-3-4-6-8-14/h10,14H,2-8H2,1H3,(H,13,15)
InChIKeyURGXUNIYYJSZRH-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.21
Rot. Bonds8

About 2-cyano-N-(6-hydroxyhexyl)butanamide

2-cyano-N-(6-hydroxyhexyl)butanamide (PubChem CID 107853067) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-cyano-N-(6-hydroxyhexyl)butanamide.

Molecular Properties

Compound Name2-cyano-N-(6-hydroxyhexyl)butanamide
PubChem CID107853067
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name2-cyano-N-(6-hydroxyhexyl)butanamide
SMILESCCC(C#N)C(=O)NCCCCCCO
InChIInChI=1S/C11H20N2O2/c1-2-10(9-12)11(15)13-7-5-3-4-6-8-14/h10,14H,2-8H2,1H3,(H,13,15)
InChIKeyURGXUNIYYJSZRH-UHFFFAOYSA-N
XLogP1.21
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-cyano-N-(4-hydroxybutyl)-3-methylbutanamide
CID 106842207
2-cyano-N-[4-(cyclopropylamino)-4-oxobutyl]butanamide
CID 79401012
2-(aminomethyl)-N-(6-hydroxyhexyl)butanamide
CID 107842589
2-cyano-N-(2-pyrrolidin-1-ylethyl)butanamide
CID 62641160
3-amino-N-(6-hydroxyhexyl)-2-methylbutanamide
CID 107842431
(2S)-2-amino-N-(5-hydroxypentyl)pentanamide
CID 107571012
(2S)-2-amino-N-(4-hydroxybutyl)-3-methylpentanamide
CID 87554780
12-hydroxydodecylurea
CID 57265418
2-cyano-N-(2-thiomorpholin-4-ylethyl)butanamide
CID 106325478
(2R)-2-amino-N-(4-hydroxybutyl)propanamide
CID 106842086
1-hexadecyl-3-(4-hydroxybutyl)urea
CID 170630543
3,3,3-trifluoro-N-(6-hydroxyhexyl)-2-(trifluoromethyl)propanamide
CID 107844083

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(6-hydroxyhexyl)butanamide?
The IUPAC name of 2-cyano-N-(6-hydroxyhexyl)butanamide (CID 107853067) is 2-cyano-N-(6-hydroxyhexyl)butanamide.
What is the SMILES notation for 2-cyano-N-(6-hydroxyhexyl)butanamide?
The canonical SMILES for 2-cyano-N-(6-hydroxyhexyl)butanamide is CCC(C#N)C(=O)NCCCCCCO.
What is the InChIKey of 2-cyano-N-(6-hydroxyhexyl)butanamide?
The InChIKey is URGXUNIYYJSZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-2-10(9-12)11(15)13-7-5-3-4-6-8-14/h10,14H,2-8H2,1H3,(H,13,15).
What are the key properties of 2-cyano-N-(6-hydroxyhexyl)butanamide?
2-cyano-N-(6-hydroxyhexyl)butanamide has a molecular weight of 212.29 g/mol, XLogP of 1.21, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(6-hydroxyhexyl)butanamide is sourced from PubChem (CID 107853067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).