2-cyano-N-(2-ethylhexyl)acetamide

C11H20N2O — CID 4590704

IUPAC2-cyano-N-(2-ethylhexyl)acetamide
SMILESCCCCC(CC)CNC(=O)CC#N
InChIInChI=1S/C11H20N2O/c1-3-5-6-10(4-2)9-13-11(14)7-8-12/h10H,3-7,9H2,1-2H3,(H,13,14)
InChIKeyYPRCVUGTLYFKAL-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.23
Rot. Bonds7

About 2-cyano-N-(2-ethylhexyl)acetamide

2-cyano-N-(2-ethylhexyl)acetamide (PubChem CID 4590704) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-cyano-N-(2-ethylhexyl)acetamide.

Molecular Properties

Compound Name2-cyano-N-(2-ethylhexyl)acetamide
PubChem CID4590704
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name2-cyano-N-(2-ethylhexyl)acetamide
SMILESCCCCC(CC)CNC(=O)CC#N
InChIInChI=1S/C11H20N2O/c1-3-5-6-10(4-2)9-13-11(14)7-8-12/h10H,3-7,9H2,1-2H3,(H,13,14)
InChIKeyYPRCVUGTLYFKAL-UHFFFAOYSA-N
XLogP2.23
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2-ethylhexyl)acetamide?
The IUPAC name of 2-cyano-N-(2-ethylhexyl)acetamide (CID 4590704) is 2-cyano-N-(2-ethylhexyl)acetamide.
What is the SMILES notation for 2-cyano-N-(2-ethylhexyl)acetamide?
The canonical SMILES for 2-cyano-N-(2-ethylhexyl)acetamide is CCCCC(CC)CNC(=O)CC#N.
What is the InChIKey of 2-cyano-N-(2-ethylhexyl)acetamide?
The InChIKey is YPRCVUGTLYFKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-3-5-6-10(4-2)9-13-11(14)7-8-12/h10H,3-7,9H2,1-2H3,(H,13,14).
What are the key properties of 2-cyano-N-(2-ethylhexyl)acetamide?
2-cyano-N-(2-ethylhexyl)acetamide has a molecular weight of 196.29 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2-ethylhexyl)acetamide is sourced from PubChem (CID 4590704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).