2-cyano-N-(1-hydroxy-3-methylpentan-3-yl)acetamide

C9H16N2O2 — CID 104920642

IUPAC2-cyano-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
SMILESCCC(C)(CCO)NC(=O)CC#N
InChIInChI=1S/C9H16N2O2/c1-3-9(2,5-7-12)11-8(13)4-6-10/h12H,3-5,7H2,1-2H3,(H,11,13)
InChIKeyMVAXSLYCEVBEFJ-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.57
Rot. Bonds5

About 2-cyano-N-(1-hydroxy-3-methylpentan-3-yl)acetamide

2-cyano-N-(1-hydroxy-3-methylpentan-3-yl)acetamide (PubChem CID 104920642) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 2-cyano-N-(1-hydroxy-3-methylpentan-3-yl)acetamide.

Molecular Properties

Compound Name2-cyano-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
PubChem CID104920642
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name2-cyano-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
SMILESCCC(C)(CCO)NC(=O)CC#N
InChIInChI=1S/C9H16N2O2/c1-3-9(2,5-7-12)11-8(13)4-6-10/h12H,3-5,7H2,1-2H3,(H,11,13)
InChIKeyMVAXSLYCEVBEFJ-UHFFFAOYSA-N
XLogP0.57
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-hydroxy-3-methylpentan-3-yl)propanamide
CID 103946136
2-cyano-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide
CID 19350083
N-(1-hydroxy-3-methylpentan-3-yl)-2-(propylamino)acetamide
CID 106176447
2-cyclopropyl-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
CID 103945988
N-(1-hydroxy-3-methylpentan-3-yl)-3,4,4-trimethylpentanamide
CID 103945842
2-(2-cyanophenoxy)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
CID 103945669
N-(1-hydroxy-3-methylpentan-3-yl)-2,2-dimethylbutanamide
CID 106166843
1-(1-hydroxy-3-methylpentan-3-yl)-3-methylurea
CID 103819942
3-amino-N-(1-hydroxy-3-methylpentan-3-yl)pentanamide
CID 106176293
(E)-4-[(1-hydroxy-3-methylpentan-3-yl)amino]-4-oxobut-2-enoic acid
CID 106167908
1-cyano-N-(1-hydroxy-3-methylpentan-3-yl)cyclohexane-1-carboxamide
CID 106173550
5-cyano-N-(1-hydroxy-3-methylpentan-3-yl)-6-methylpyridine-2-carboxamide
CID 103946065

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(1-hydroxy-3-methylpentan-3-yl)acetamide?
The IUPAC name of 2-cyano-N-(1-hydroxy-3-methylpentan-3-yl)acetamide (CID 104920642) is 2-cyano-N-(1-hydroxy-3-methylpentan-3-yl)acetamide.
What is the SMILES notation for 2-cyano-N-(1-hydroxy-3-methylpentan-3-yl)acetamide?
The canonical SMILES for 2-cyano-N-(1-hydroxy-3-methylpentan-3-yl)acetamide is CCC(C)(CCO)NC(=O)CC#N.
What is the InChIKey of 2-cyano-N-(1-hydroxy-3-methylpentan-3-yl)acetamide?
The InChIKey is MVAXSLYCEVBEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-3-9(2,5-7-12)11-8(13)4-6-10/h12H,3-5,7H2,1-2H3,(H,11,13).
What are the key properties of 2-cyano-N-(1-hydroxy-3-methylpentan-3-yl)acetamide?
2-cyano-N-(1-hydroxy-3-methylpentan-3-yl)acetamide has a molecular weight of 184.24 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(1-hydroxy-3-methylpentan-3-yl)acetamide is sourced from PubChem (CID 104920642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).