2-cyano-N-[2-ethyl-2-(hydroxymethyl)butyl]-3-methylbutanamide

C13H24N2O2 — CID 114164878

IUPAC2-cyano-N-[2-ethyl-2-(hydroxymethyl)butyl]-3-methylbutanamide
SMILESCCC(CC)(CO)CNC(=O)C(C#N)C(C)C
InChIInChI=1S/C13H24N2O2/c1-5-13(6-2,9-16)8-15-12(17)11(7-14)10(3)4/h10-11,16H,5-6,8-9H2,1-4H3,(H,15,17)
InChIKeyHPESNEJYXURWGH-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.70
Rot. Bonds7

About 2-cyano-N-[2-ethyl-2-(hydroxymethyl)butyl]-3-methylbutanamide

2-cyano-N-[2-ethyl-2-(hydroxymethyl)butyl]-3-methylbutanamide (PubChem CID 114164878) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-cyano-N-[2-ethyl-2-(hydroxymethyl)butyl]-3-methylbutanamide.

Molecular Properties

Compound Name2-cyano-N-[2-ethyl-2-(hydroxymethyl)butyl]-3-methylbutanamide
PubChem CID114164878
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name2-cyano-N-[2-ethyl-2-(hydroxymethyl)butyl]-3-methylbutanamide
SMILESCCC(CC)(CO)CNC(=O)C(C#N)C(C)C
InChIInChI=1S/C13H24N2O2/c1-5-13(6-2,9-16)8-15-12(17)11(7-14)10(3)4/h10-11,16H,5-6,8-9H2,1-4H3,(H,15,17)
InChIKeyHPESNEJYXURWGH-UHFFFAOYSA-N
XLogP1.70
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-ethyl-2-(hydroxymethyl)butyl]-2,2-difluoroacetamide
CID 107168157
3-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]-2-methylbutanamide
CID 106255599
2-cyano-3-methyl-N-(2,3,3-trimethylbutyl)butanamide
CID 83142651
2-cyano-N-(4-hydroxybutyl)-3-methylbutanamide
CID 106842207
2-cyano-N-(2-cyclobutyl-2-methylpropyl)-3-methylbutanamide
CID 115188708
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(oxan-4-yl)propanamide
CID 109481380
2-cyano-N-[2-(4-ethylphenyl)ethyl]-3-methylbutanamide
CID 115188642
2-cyano-3-methyl-N-(3-propan-2-yloxypropyl)butanamide
CID 107856882
N-[2-ethyl-2-(hydroxymethyl)butyl]-4,4,4-trifluorobutanamide
CID 103843928
(2S)-2-amino-N-(2,2-diethyl-4-hydroxybutyl)propanamide
CID 119343168
2-cyano-3-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]butanamide
CID 106034255
2-cyano-3-methyl-N-(thiolan-3-ylmethyl)butanamide
CID 107296189

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[2-ethyl-2-(hydroxymethyl)butyl]-3-methylbutanamide?
The IUPAC name of 2-cyano-N-[2-ethyl-2-(hydroxymethyl)butyl]-3-methylbutanamide (CID 114164878) is 2-cyano-N-[2-ethyl-2-(hydroxymethyl)butyl]-3-methylbutanamide.
What is the SMILES notation for 2-cyano-N-[2-ethyl-2-(hydroxymethyl)butyl]-3-methylbutanamide?
The canonical SMILES for 2-cyano-N-[2-ethyl-2-(hydroxymethyl)butyl]-3-methylbutanamide is CCC(CC)(CO)CNC(=O)C(C#N)C(C)C.
What is the InChIKey of 2-cyano-N-[2-ethyl-2-(hydroxymethyl)butyl]-3-methylbutanamide?
The InChIKey is HPESNEJYXURWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-5-13(6-2,9-16)8-15-12(17)11(7-14)10(3)4/h10-11,16H,5-6,8-9H2,1-4H3,(H,15,17).
What are the key properties of 2-cyano-N-[2-ethyl-2-(hydroxymethyl)butyl]-3-methylbutanamide?
2-cyano-N-[2-ethyl-2-(hydroxymethyl)butyl]-3-methylbutanamide has a molecular weight of 240.35 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[2-ethyl-2-(hydroxymethyl)butyl]-3-methylbutanamide is sourced from PubChem (CID 114164878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).