N-(2-cyanophenyl)-2-ethylhexanamide

C15H20N2O — CID 654718

IUPACN-(2-cyanophenyl)-2-ethylhexanamide
SMILESCCCCC(CC)C(=O)Nc1ccccc1C#N
InChIInChI=1S/C15H20N2O/c1-3-5-8-12(4-2)15(18)17-14-10-7-6-9-13(14)11-16/h6-7,9-10,12H,3-5,8H2,1-2H3,(H,17,18)
InChIKeyVNBGLDMDQBQZRD-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.71
Rot. Bonds6

About N-(2-cyanophenyl)-2-ethylhexanamide

N-(2-cyanophenyl)-2-ethylhexanamide (PubChem CID 654718) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-ethylhexanamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-ethylhexanamide
PubChem CID654718
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC NameN-(2-cyanophenyl)-2-ethylhexanamide
SMILESCCCCC(CC)C(=O)Nc1ccccc1C#N
InChIInChI=1S/C15H20N2O/c1-3-5-8-12(4-2)15(18)17-14-10-7-6-9-13(14)11-16/h6-7,9-10,12H,3-5,8H2,1-2H3,(H,17,18)
InChIKeyVNBGLDMDQBQZRD-UHFFFAOYSA-N
XLogP3.71
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-ethylhexanamide?
The IUPAC name of N-(2-cyanophenyl)-2-ethylhexanamide (CID 654718) is N-(2-cyanophenyl)-2-ethylhexanamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-ethylhexanamide?
The canonical SMILES for N-(2-cyanophenyl)-2-ethylhexanamide is CCCCC(CC)C(=O)Nc1ccccc1C#N.
What is the InChIKey of N-(2-cyanophenyl)-2-ethylhexanamide?
The InChIKey is VNBGLDMDQBQZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-3-5-8-12(4-2)15(18)17-14-10-7-6-9-13(14)11-16/h6-7,9-10,12H,3-5,8H2,1-2H3,(H,17,18).
What are the key properties of N-(2-cyanophenyl)-2-ethylhexanamide?
N-(2-cyanophenyl)-2-ethylhexanamide has a molecular weight of 244.34 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-ethylhexanamide is sourced from PubChem (CID 654718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).