N-(1-cyano-2-ethylhexyl)acetamide

C11H20N2O — CID 566604

IUPACN-(1-cyano-2-ethylhexyl)acetamide
SMILESCCCCC(CC)C(C#N)NC(C)=O
InChIInChI=1S/C11H20N2O/c1-4-6-7-10(5-2)11(8-12)13-9(3)14/h10-11H,4-7H2,1-3H3,(H,13,14)
InChIKeyODIJJCRNUGNOMF-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.23
Rot. Bonds6

About N-(1-cyano-2-ethylhexyl)acetamide

N-(1-cyano-2-ethylhexyl)acetamide (PubChem CID 566604) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is N-(1-cyano-2-ethylhexyl)acetamide.

Molecular Properties

Compound NameN-(1-cyano-2-ethylhexyl)acetamide
PubChem CID566604
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC NameN-(1-cyano-2-ethylhexyl)acetamide
SMILESCCCCC(CC)C(C#N)NC(C)=O
InChIInChI=1S/C11H20N2O/c1-4-6-7-10(5-2)11(8-12)13-9(3)14/h10-11H,4-7H2,1-3H3,(H,13,14)
InChIKeyODIJJCRNUGNOMF-UHFFFAOYSA-N
XLogP2.23
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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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Related Compounds

Acetamide, N-(3-propyl-2-hexyl)-
CID 40203
Valeramide, N-isopropyl-2-propyl-
CID 200920
N-(2-Propylpentyl)ethanimidic acid
CID 218531
N-(4-Methylcyclohexyl)acetamide
CID 286632
Propionamide, N-(1-methyl-2-propylpentyl)-
CID 3040306
N-(1-cyano-3-methylbutyl)-4-methylpentanamide
CID 53583750
2-cyano-N-(2-methylcyclohexyl)acetamide
CID 3843297
N-(2-cyanocyclopentyl)acetamide
CID 53315519
n-(2-Ethylhexyl)acetamide
CID 291451
N-(2-methylcyclohexyl)acetamide
CID 42910868
N-[(1R)-1-cyclohexylethyl]acetamide
CID 13617462
N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 40234916

Frequently Asked Questions

What is the IUPAC name of N-(1-cyano-2-ethylhexyl)acetamide?
The IUPAC name of N-(1-cyano-2-ethylhexyl)acetamide (CID 566604) is N-(1-cyano-2-ethylhexyl)acetamide.
What is the SMILES notation for N-(1-cyano-2-ethylhexyl)acetamide?
The canonical SMILES for N-(1-cyano-2-ethylhexyl)acetamide is CCCCC(CC)C(C#N)NC(C)=O.
What is the InChIKey of N-(1-cyano-2-ethylhexyl)acetamide?
The InChIKey is ODIJJCRNUGNOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-4-6-7-10(5-2)11(8-12)13-9(3)14/h10-11H,4-7H2,1-3H3,(H,13,14).
What are the key properties of N-(1-cyano-2-ethylhexyl)acetamide?
N-(1-cyano-2-ethylhexyl)acetamide has a molecular weight of 196.29 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyano-2-ethylhexyl)acetamide is sourced from PubChem (CID 566604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).