2-cyano-N-(2-hydroxyethyl)-N,2-dimethylpropanamide

C8H14N2O2 — CID 61059535

IUPAC2-cyano-N-(2-hydroxyethyl)-N,2-dimethylpropanamide
SMILESCN(CCO)C(=O)C(C)(C)C#N
InChIInChI=1S/C8H14N2O2/c1-8(2,6-9)7(12)10(3)4-5-11/h11H,4-5H2,1-3H3
InChIKeyKNCDYQRLZXNVBN-UHFFFAOYSA-N
MW170.21 g/mol
LogP-0.01
Rot. Bonds3

About 2-cyano-N-(2-hydroxyethyl)-N,2-dimethylpropanamide

2-cyano-N-(2-hydroxyethyl)-N,2-dimethylpropanamide (PubChem CID 61059535) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 2-cyano-N-(2-hydroxyethyl)-N,2-dimethylpropanamide.

Molecular Properties

Compound Name2-cyano-N-(2-hydroxyethyl)-N,2-dimethylpropanamide
PubChem CID61059535
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name2-cyano-N-(2-hydroxyethyl)-N,2-dimethylpropanamide
SMILESCN(CCO)C(=O)C(C)(C)C#N
InChIInChI=1S/C8H14N2O2/c1-8(2,6-9)7(12)10(3)4-5-11/h11H,4-5H2,1-3H3
InChIKeyKNCDYQRLZXNVBN-UHFFFAOYSA-N
XLogP-0.01
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2-hydroxyethyl)-N,2-dimethylpropanamide?
The IUPAC name of 2-cyano-N-(2-hydroxyethyl)-N,2-dimethylpropanamide (CID 61059535) is 2-cyano-N-(2-hydroxyethyl)-N,2-dimethylpropanamide.
What is the SMILES notation for 2-cyano-N-(2-hydroxyethyl)-N,2-dimethylpropanamide?
The canonical SMILES for 2-cyano-N-(2-hydroxyethyl)-N,2-dimethylpropanamide is CN(CCO)C(=O)C(C)(C)C#N.
What is the InChIKey of 2-cyano-N-(2-hydroxyethyl)-N,2-dimethylpropanamide?
The InChIKey is KNCDYQRLZXNVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-8(2,6-9)7(12)10(3)4-5-11/h11H,4-5H2,1-3H3.
What are the key properties of 2-cyano-N-(2-hydroxyethyl)-N,2-dimethylpropanamide?
2-cyano-N-(2-hydroxyethyl)-N,2-dimethylpropanamide has a molecular weight of 170.21 g/mol, XLogP of -0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2-hydroxyethyl)-N,2-dimethylpropanamide is sourced from PubChem (CID 61059535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).