2-cyano-N-(3-hydroxy-2-methylpropyl)-2-methylpropanamide

C9H16N2O2 — CID 65036481

IUPAC2-cyano-N-(3-hydroxy-2-methylpropyl)-2-methylpropanamide
SMILESCC(CO)CNC(=O)C(C)(C)C#N
InChIInChI=1S/C9H16N2O2/c1-7(5-12)4-11-8(13)9(2,3)6-10/h7,12H,4-5H2,1-3H3,(H,11,13)
InChIKeyDGWFZLVFJZTEMR-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.28
Rot. Bonds4

About 2-cyano-N-(3-hydroxy-2-methylpropyl)-2-methylpropanamide

2-cyano-N-(3-hydroxy-2-methylpropyl)-2-methylpropanamide (PubChem CID 65036481) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 2-cyano-N-(3-hydroxy-2-methylpropyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-cyano-N-(3-hydroxy-2-methylpropyl)-2-methylpropanamide
PubChem CID65036481
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name2-cyano-N-(3-hydroxy-2-methylpropyl)-2-methylpropanamide
SMILESCC(CO)CNC(=O)C(C)(C)C#N
InChIInChI=1S/C9H16N2O2/c1-7(5-12)4-11-8(13)9(2,3)6-10/h7,12H,4-5H2,1-3H3,(H,11,13)
InChIKeyDGWFZLVFJZTEMR-UHFFFAOYSA-N
XLogP0.28
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-(5-hydroxy-4-methylpentyl)-2-methylpropanamide
CID 103862154
2-cyano-N-(2,3-dimethylbutyl)-2-methylpropanamide
CID 64598100
2,2,2-trifluoro-N-[(2S)-3-hydroxy-2-methylpropyl]acetamide
CID 130006525
2-cyano-N-(3-hydroxypropyl)-2-methylpropanamide
CID 61059693
2-cyano-N-(4-hydroxypentyl)-2-methylpropanamide
CID 107299932
2-cyano-2-methyl-N-(2-methylbutyl)butanamide
CID 114291439
N-[2-(carbamoylamino)ethyl]-2-cyano-2-methylpropanamide
CID 78993885
2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)-2-methylpropanamide
CID 107857130
2-cyano-N-[2-(dimethylamino)ethyl]-2-methylpropanamide
CID 61061078
methyl (2S)-2-[[2-[(2-cyano-2-methylpropanoyl)amino]acetyl]amino]propanoate
CID 154717709
2-cyano-N-(3-hydroxy-2-methylpropyl)pentanamide
CID 65036419
N-[2-(3-chlorophenyl)-2-methoxyethyl]-2-cyano-2-methylpropanamide
CID 71993870

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(3-hydroxy-2-methylpropyl)-2-methylpropanamide?
The IUPAC name of 2-cyano-N-(3-hydroxy-2-methylpropyl)-2-methylpropanamide (CID 65036481) is 2-cyano-N-(3-hydroxy-2-methylpropyl)-2-methylpropanamide.
What is the SMILES notation for 2-cyano-N-(3-hydroxy-2-methylpropyl)-2-methylpropanamide?
The canonical SMILES for 2-cyano-N-(3-hydroxy-2-methylpropyl)-2-methylpropanamide is CC(CO)CNC(=O)C(C)(C)C#N.
What is the InChIKey of 2-cyano-N-(3-hydroxy-2-methylpropyl)-2-methylpropanamide?
The InChIKey is DGWFZLVFJZTEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-7(5-12)4-11-8(13)9(2,3)6-10/h7,12H,4-5H2,1-3H3,(H,11,13).
What are the key properties of 2-cyano-N-(3-hydroxy-2-methylpropyl)-2-methylpropanamide?
2-cyano-N-(3-hydroxy-2-methylpropyl)-2-methylpropanamide has a molecular weight of 184.24 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(3-hydroxy-2-methylpropyl)-2-methylpropanamide is sourced from PubChem (CID 65036481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).