2-cyano-N-(2,3-dimethylbutyl)-2-methylpropanamide

C11H20N2O — CID 64598100

IUPAC2-cyano-N-(2,3-dimethylbutyl)-2-methylpropanamide
SMILESCC(C)C(C)CNC(=O)C(C)(C)C#N
InChIInChI=1S/C11H20N2O/c1-8(2)9(3)6-13-10(14)11(4,5)7-12/h8-9H,6H2,1-5H3,(H,13,14)
InChIKeyPZJPXQZISDSTSU-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.94
Rot. Bonds4

About 2-cyano-N-(2,3-dimethylbutyl)-2-methylpropanamide

2-cyano-N-(2,3-dimethylbutyl)-2-methylpropanamide (PubChem CID 64598100) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-cyano-N-(2,3-dimethylbutyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-cyano-N-(2,3-dimethylbutyl)-2-methylpropanamide
PubChem CID64598100
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name2-cyano-N-(2,3-dimethylbutyl)-2-methylpropanamide
SMILESCC(C)C(C)CNC(=O)C(C)(C)C#N
InChIInChI=1S/C11H20N2O/c1-8(2)9(3)6-13-10(14)11(4,5)7-12/h8-9H,6H2,1-5H3,(H,13,14)
InChIKeyPZJPXQZISDSTSU-UHFFFAOYSA-N
XLogP1.94
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-cyano-N-(2,3-dimethylbutyl)-2-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyano-N-(3-hydroxy-2-methylpropyl)-2-methylpropanamide
CID 65036481
2-cyano-N-(4-hydroxypentyl)-2-methylpropanamide
CID 107299932
2-cyano-N-(5-hydroxy-4-methylpentyl)-2-methylpropanamide
CID 103862154
N-[2-(carbamoylamino)ethyl]-2-cyano-2-methylpropanamide
CID 78993885
2-cyano-N-(3-hydroxypropyl)-2-methylpropanamide
CID 61059693
2-(aminomethyl)-N-(2,3-dimethylbutyl)-2-ethylbutanamide
CID 64568514
2-cyano-N-[2-(dimethylamino)ethyl]-2-methylpropanamide
CID 61061078
methyl (2S)-2-[[2-[(2-cyano-2-methylpropanoyl)amino]acetyl]amino]propanoate
CID 154717709
(2S)-2-amino-N-(2,3-dimethylbutyl)-3,3-dimethylbutanamide
CID 64598491
N-(2,3-dimethylbutyl)-2-methyl-2-piperazin-1-ylpropanamide
CID 80550084
3-amino-N-(2-cyanopropyl)-2,2,3-trimethylbutanamide
CID 65266802
N-but-3-en-2-yl-2-cyano-2-methylpropanamide
CID 115692171

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2,3-dimethylbutyl)-2-methylpropanamide?
The IUPAC name of 2-cyano-N-(2,3-dimethylbutyl)-2-methylpropanamide (CID 64598100) is 2-cyano-N-(2,3-dimethylbutyl)-2-methylpropanamide.
What is the SMILES notation for 2-cyano-N-(2,3-dimethylbutyl)-2-methylpropanamide?
The canonical SMILES for 2-cyano-N-(2,3-dimethylbutyl)-2-methylpropanamide is CC(C)C(C)CNC(=O)C(C)(C)C#N.
What is the InChIKey of 2-cyano-N-(2,3-dimethylbutyl)-2-methylpropanamide?
The InChIKey is PZJPXQZISDSTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-8(2)9(3)6-13-10(14)11(4,5)7-12/h8-9H,6H2,1-5H3,(H,13,14).
What are the key properties of 2-cyano-N-(2,3-dimethylbutyl)-2-methylpropanamide?
2-cyano-N-(2,3-dimethylbutyl)-2-methylpropanamide has a molecular weight of 196.29 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2,3-dimethylbutyl)-2-methylpropanamide is sourced from PubChem (CID 64598100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).