2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)-2-methylbutanamide

C10H18N2O2 — CID 107857131

IUPAC2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)-2-methylbutanamide
SMILESCCC(C)(C#N)C(=O)NC(C)(C)CO
InChIInChI=1S/C10H18N2O2/c1-5-10(4,6-11)8(14)12-9(2,3)7-13/h13H,5,7H2,1-4H3,(H,12,14)
InChIKeyJTIDBSWJSODIEF-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.81
Rot. Bonds4

About 2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)-2-methylbutanamide

2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)-2-methylbutanamide (PubChem CID 107857131) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)-2-methylbutanamide.

Molecular Properties

Compound Name2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)-2-methylbutanamide
PubChem CID107857131
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)-2-methylbutanamide
SMILESCCC(C)(C#N)C(=O)NC(C)(C)CO
InChIInChI=1S/C10H18N2O2/c1-5-10(4,6-11)8(14)12-9(2,3)7-13/h13H,5,7H2,1-4H3,(H,12,14)
InChIKeyJTIDBSWJSODIEF-UHFFFAOYSA-N
XLogP0.81
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,1-Dimethyl-2-hydroxyethyl)-2,2-diethylbutanamide
CID 20565975
2-cyano-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide
CID 19350083
N-(1-hydroxy-2-methylpropan-2-yl)-2,2-dimethylbutanamide
CID 62677680
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,2-dimethylbutanamide
CID 88857523
N-(2-cyano-3,3-dimethylbutan-2-yl)-2-hydroxypropanamide
CID 139881772
4-cyano-N-(1-hydroxy-2-methylpropan-2-yl)-4-methylpentanamide
CID 156186769
N-(1-hydroxy-2-methylpropan-2-yl)-3,3-dimethylbutanamide
CID 43390436
N-[3-(hydroxymethyl)pentan-3-yl]-3,3-dimethylbutanamide
CID 62516883
N-[3-(hydroxymethyl)pentan-3-yl]-2,2-dimethylbutanamide
CID 62679591
2-cyano-2-ethyl-N-(1-hydroxypropan-2-yl)butanamide
CID 63264564
N-(1-hydroxy-2-methylbutan-2-yl)-3,3-dimethylbutanamide
CID 64555967
N-(1-hydroxy-2-methylbutan-2-yl)-2,2-dimethylbutanamide
CID 64556967

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)-2-methylbutanamide?
The IUPAC name of 2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)-2-methylbutanamide (CID 107857131) is 2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)-2-methylbutanamide.
What is the SMILES notation for 2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)-2-methylbutanamide?
The canonical SMILES for 2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)-2-methylbutanamide is CCC(C)(C#N)C(=O)NC(C)(C)CO.
What is the InChIKey of 2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)-2-methylbutanamide?
The InChIKey is JTIDBSWJSODIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-5-10(4,6-11)8(14)12-9(2,3)7-13/h13H,5,7H2,1-4H3,(H,12,14).
What are the key properties of 2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)-2-methylbutanamide?
2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)-2-methylbutanamide has a molecular weight of 198.27 g/mol, XLogP of 0.81, 4 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-2-methylpropan-2-yl)-2-methylbutanamide is sourced from PubChem (CID 107857131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).