2-cyano-N-(4-hydroxybutyl)-3-methylbutanamide

C10H18N2O2 — CID 106842207

IUPAC2-cyano-N-(4-hydroxybutyl)-3-methylbutanamide
SMILESCC(C)C(C#N)C(=O)NCCCCO
InChIInChI=1S/C10H18N2O2/c1-8(2)9(7-11)10(14)12-5-3-4-6-13/h8-9,13H,3-6H2,1-2H3,(H,12,14)
InChIKeyKUQRSRUYGRZOTC-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.67
Rot. Bonds6

About 2-cyano-N-(4-hydroxybutyl)-3-methylbutanamide

2-cyano-N-(4-hydroxybutyl)-3-methylbutanamide (PubChem CID 106842207) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-cyano-N-(4-hydroxybutyl)-3-methylbutanamide.

Molecular Properties

Compound Name2-cyano-N-(4-hydroxybutyl)-3-methylbutanamide
PubChem CID106842207
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name2-cyano-N-(4-hydroxybutyl)-3-methylbutanamide
SMILESCC(C)C(C#N)C(=O)NCCCCO
InChIInChI=1S/C10H18N2O2/c1-8(2)9(7-11)10(14)12-5-3-4-6-13/h8-9,13H,3-6H2,1-2H3,(H,12,14)
InChIKeyKUQRSRUYGRZOTC-UHFFFAOYSA-N
XLogP0.67
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.67
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-3-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]butanamide
CID 106034255
2-cyano-3-methyl-N-(3-propan-2-yloxypropyl)butanamide
CID 107856882
2-cyano-N-(6-hydroxyhexyl)butanamide
CID 107853067
2-cyano-3-methyl-N-(2,3,3-trimethylbutyl)butanamide
CID 83142651
2-cyano-N-[4-(cyclopropylamino)-4-oxobutyl]-3-methylbutanamide
CID 79400785
(2R)-2-amino-N-(4-hydroxybutyl)propanamide
CID 106842086
2-cyano-N-[2-ethyl-2-(hydroxymethyl)butyl]-3-methylbutanamide
CID 114164878
N-[2-(2-amino-2-oxoethoxy)ethyl]-2-cyano-3-methylbutanamide
CID 106236788
2-cyano-N-[2-(4-ethylphenyl)ethyl]-3-methylbutanamide
CID 115188642
3-amino-N-(6-hydroxyhexyl)-2-methylbutanamide
CID 107842431
2-cyano-3-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]butanamide
CID 62040285
2-(carbamoylamino)-N-(4-hydroxybutyl)-3-methylbutanamide
CID 106843387

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(4-hydroxybutyl)-3-methylbutanamide?
The IUPAC name of 2-cyano-N-(4-hydroxybutyl)-3-methylbutanamide (CID 106842207) is 2-cyano-N-(4-hydroxybutyl)-3-methylbutanamide.
What is the SMILES notation for 2-cyano-N-(4-hydroxybutyl)-3-methylbutanamide?
The canonical SMILES for 2-cyano-N-(4-hydroxybutyl)-3-methylbutanamide is CC(C)C(C#N)C(=O)NCCCCO.
What is the InChIKey of 2-cyano-N-(4-hydroxybutyl)-3-methylbutanamide?
The InChIKey is KUQRSRUYGRZOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-8(2)9(7-11)10(14)12-5-3-4-6-13/h8-9,13H,3-6H2,1-2H3,(H,12,14).
What are the key properties of 2-cyano-N-(4-hydroxybutyl)-3-methylbutanamide?
2-cyano-N-(4-hydroxybutyl)-3-methylbutanamide has a molecular weight of 198.27 g/mol, XLogP of 0.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(4-hydroxybutyl)-3-methylbutanamide is sourced from PubChem (CID 106842207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).