2-(4-cyanophenoxy)-N-hexylacetamide

C15H20N2O2 — CID 9012992

IUPAC2-(4-cyanophenoxy)-N-hexylacetamide
SMILESCCCCCCNC(=O)COc1ccc(C#N)cc1
InChIInChI=1S/C15H20N2O2/c1-2-3-4-5-10-17-15(18)12-19-14-8-6-13(11-16)7-9-14/h6-9H,2-5,10,12H2,1H3,(H,17,18)
InChIKeyQBOWLQYKJHBOPO-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.63
Rot. Bonds8

About 2-(4-cyanophenoxy)-N-hexylacetamide

2-(4-cyanophenoxy)-N-hexylacetamide (PubChem CID 9012992) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-hexylacetamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-hexylacetamide
PubChem CID9012992
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-(4-cyanophenoxy)-N-hexylacetamide
SMILESCCCCCCNC(=O)COc1ccc(C#N)cc1
InChIInChI=1S/C15H20N2O2/c1-2-3-4-5-10-17-15(18)12-19-14-8-6-13(11-16)7-9-14/h6-9H,2-5,10,12H2,1H3,(H,17,18)
InChIKeyQBOWLQYKJHBOPO-UHFFFAOYSA-N
XLogP2.63
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-(4-cyanophenyl)phenoxy]-N-hexadecylacetamide
CID 3468682
[2-(butylamino)-2-oxoethyl] 2-(4-cyanophenoxy)acetate
CID 9140972
2-(4-cyanophenoxy)-N-(4-methylpentyl)acetamide
CID 32613683
methyl 4-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]butanoate
CID 9019829
N-butyl-4-[2-oxo-2-(pentylamino)ethoxy]benzamide
CID 4846679
N-hexadecyl-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17093175
N-butyl-2-(4-propoxyphenoxy)acetamide
CID 112775304
2-(4-cyanophenoxy)-N-[(4-hexoxyphenyl)methylideneamino]acetamide
CID 2431577
4-cyano-N-decylbenzamide
CID 14179073
N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]-2-(4-cyanophenoxy)acetamide
CID 95167799
2-(4-cyanophenoxy)-N'-hex-1-en-2-ylacetohydrazide
CID 2432444
4-[2-(butylamino)-2-oxoethoxy]benzoic acid
CID 22645381

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-hexylacetamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-hexylacetamide (CID 9012992) is 2-(4-cyanophenoxy)-N-hexylacetamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-hexylacetamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-hexylacetamide is CCCCCCNC(=O)COc1ccc(C#N)cc1.
What is the InChIKey of 2-(4-cyanophenoxy)-N-hexylacetamide?
The InChIKey is QBOWLQYKJHBOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-2-3-4-5-10-17-15(18)12-19-14-8-6-13(11-16)7-9-14/h6-9H,2-5,10,12H2,1H3,(H,17,18).
What are the key properties of 2-(4-cyanophenoxy)-N-hexylacetamide?
2-(4-cyanophenoxy)-N-hexylacetamide has a molecular weight of 260.34 g/mol, XLogP of 2.63, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-hexylacetamide is sourced from PubChem (CID 9012992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).