2-cyano-2-ethyl-N-(4-hydroxybutyl)butanamide

C11H20N2O2 — CID 106842209

IUPAC2-cyano-2-ethyl-N-(4-hydroxybutyl)butanamide
SMILESCCC(C#N)(CC)C(=O)NCCCCO
InChIInChI=1S/C11H20N2O2/c1-3-11(4-2,9-12)10(15)13-7-5-6-8-14/h14H,3-8H2,1-2H3,(H,13,15)
InChIKeyGQCLYFZWMCTPOC-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.21
Rot. Bonds7

About 2-cyano-2-ethyl-N-(4-hydroxybutyl)butanamide

2-cyano-2-ethyl-N-(4-hydroxybutyl)butanamide (PubChem CID 106842209) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-cyano-2-ethyl-N-(4-hydroxybutyl)butanamide.

Molecular Properties

Compound Name2-cyano-2-ethyl-N-(4-hydroxybutyl)butanamide
PubChem CID106842209
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name2-cyano-2-ethyl-N-(4-hydroxybutyl)butanamide
SMILESCCC(C#N)(CC)C(=O)NCCCCO
InChIInChI=1S/C11H20N2O2/c1-3-11(4-2,9-12)10(15)13-7-5-6-8-14/h14H,3-8H2,1-2H3,(H,13,15)
InChIKeyGQCLYFZWMCTPOC-UHFFFAOYSA-N
XLogP1.21
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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

ethyl 4-[(2-cyano-2-ethylbutanoyl)amino]butanoate
CID 64576196
N-(3-amino-3-oxopropyl)-2-cyano-2-ethylbutanamide
CID 55207876
2-cyano-N-(3-hydroxypropyl)-2-methylpropanamide
CID 61059693
2-cyano-N-(2,2-dimethylbutyl)-2-ethylbutanamide
CID 103461706
2-cyano-2-ethyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]butanamide
CID 62040091
2-cyano-N-(5-hydroxy-4-methylpentyl)-2-propylpentanamide
CID 106161676
2-cyano-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2-ethylbutanamide
CID 114167359
2-cyano-N-(3-propoxypropyl)-2-propylpentanamide
CID 82941499
N-(4-hydroxybutyl)-2-methyl-2-(methylamino)propanamide
CID 106842052
2-cyano-N-(cyclopentylmethyl)-2-ethylbutanamide
CID 55207756
2-cyano-2-ethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide
CID 106417457
2,2,2-trichloro-N-(5-hydroxypentyl)acetamide
CID 110839292

Frequently Asked Questions

What is the IUPAC name of 2-cyano-2-ethyl-N-(4-hydroxybutyl)butanamide?
The IUPAC name of 2-cyano-2-ethyl-N-(4-hydroxybutyl)butanamide (CID 106842209) is 2-cyano-2-ethyl-N-(4-hydroxybutyl)butanamide.
What is the SMILES notation for 2-cyano-2-ethyl-N-(4-hydroxybutyl)butanamide?
The canonical SMILES for 2-cyano-2-ethyl-N-(4-hydroxybutyl)butanamide is CCC(C#N)(CC)C(=O)NCCCCO.
What is the InChIKey of 2-cyano-2-ethyl-N-(4-hydroxybutyl)butanamide?
The InChIKey is GQCLYFZWMCTPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-3-11(4-2,9-12)10(15)13-7-5-6-8-14/h14H,3-8H2,1-2H3,(H,13,15).
What are the key properties of 2-cyano-2-ethyl-N-(4-hydroxybutyl)butanamide?
2-cyano-2-ethyl-N-(4-hydroxybutyl)butanamide has a molecular weight of 212.29 g/mol, XLogP of 1.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-2-ethyl-N-(4-hydroxybutyl)butanamide is sourced from PubChem (CID 106842209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).