N-(2-cyano-3,3-dimethylbutan-2-yl)-2-hydroxypropanamide

C10H18N2O2 — CID 139881772

IUPACN-(2-cyano-3,3-dimethylbutan-2-yl)-2-hydroxypropanamide
SMILESCC(O)C(=O)NC(C)(C#N)C(C)(C)C
InChIInChI=1S/C10H18N2O2/c1-7(13)8(14)12-10(5,6-11)9(2,3)4/h7,13H,1-5H3,(H,12,14)
InChIKeyUZHZAKGJYNEEKK-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.81
Rot. Bonds2

About N-(2-cyano-3,3-dimethylbutan-2-yl)-2-hydroxypropanamide

N-(2-cyano-3,3-dimethylbutan-2-yl)-2-hydroxypropanamide (PubChem CID 139881772) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is N-(2-cyano-3,3-dimethylbutan-2-yl)-2-hydroxypropanamide.

Molecular Properties

Compound NameN-(2-cyano-3,3-dimethylbutan-2-yl)-2-hydroxypropanamide
PubChem CID139881772
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC NameN-(2-cyano-3,3-dimethylbutan-2-yl)-2-hydroxypropanamide
SMILESCC(O)C(=O)NC(C)(C#N)C(C)(C)C
InChIInChI=1S/C10H18N2O2/c1-7(13)8(14)12-10(5,6-11)9(2,3)4/h7,13H,1-5H3,(H,12,14)
InChIKeyUZHZAKGJYNEEKK-UHFFFAOYSA-N
XLogP0.81
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
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-Cyano-1,2-dimethylpropyl)-2-hydroxypropanamide
CID 18700272
N-(1-cyanocyclopropyl)-2-hydroxypropanamide
CID 89563725
2-hydroxy-N-(2-methylbutan-2-yl)propanamide
CID 43558712
N-(2-cyano-3-methylbutan-2-yl)-2-hydroxyacetamide
CID 43558924
2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)-2-methylbutanamide
CID 107857131
(2S)-N-(1-cyano-2,2-dimethylpropyl)-2-hydroxypropanamide
CID 126987878
N-(1-cyano-2,2-dimethylpropyl)-2-hydroxypropanamide
CID 126989890
(2S)-N-(1-cyanocyclobutyl)-2-hydroxypropanamide
CID 128014898
(2R)-N-(1-cyano-1-cyclopropylethyl)-2-hydroxypropanamide
CID 130616401
(2R)-N-(1-cyano-2,2-dimethylpropyl)-2-hydroxypropanamide
CID 130643461
(2S)-N-(2-cyanopropan-2-yl)-2-hydroxy-3-methylbutanamide
CID 130652140
(2R)-N-(1-cyano-2,2-dimethylcyclopropyl)-2-hydroxypropanamide
CID 130652198

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-3,3-dimethylbutan-2-yl)-2-hydroxypropanamide?
The IUPAC name of N-(2-cyano-3,3-dimethylbutan-2-yl)-2-hydroxypropanamide (CID 139881772) is N-(2-cyano-3,3-dimethylbutan-2-yl)-2-hydroxypropanamide.
What is the SMILES notation for N-(2-cyano-3,3-dimethylbutan-2-yl)-2-hydroxypropanamide?
The canonical SMILES for N-(2-cyano-3,3-dimethylbutan-2-yl)-2-hydroxypropanamide is CC(O)C(=O)NC(C)(C#N)C(C)(C)C.
What is the InChIKey of N-(2-cyano-3,3-dimethylbutan-2-yl)-2-hydroxypropanamide?
The InChIKey is UZHZAKGJYNEEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-7(13)8(14)12-10(5,6-11)9(2,3)4/h7,13H,1-5H3,(H,12,14).
What are the key properties of N-(2-cyano-3,3-dimethylbutan-2-yl)-2-hydroxypropanamide?
N-(2-cyano-3,3-dimethylbutan-2-yl)-2-hydroxypropanamide has a molecular weight of 198.27 g/mol, XLogP of 0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-3,3-dimethylbutan-2-yl)-2-hydroxypropanamide is sourced from PubChem (CID 139881772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).