N-(3-cyanophenyl)-2-hexoxyacetamide

C15H20N2O2 — CID 29001724

IUPACN-(3-cyanophenyl)-2-hexoxyacetamide
SMILESCCCCCCOCC(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C15H20N2O2/c1-2-3-4-5-9-19-12-15(18)17-14-8-6-7-13(10-14)11-16/h6-8,10H,2-5,9,12H2,1H3,(H,17,18)
InChIKeyOFWSCIIJUGUPLF-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.09
Rot. Bonds8

About N-(3-cyanophenyl)-2-hexoxyacetamide

N-(3-cyanophenyl)-2-hexoxyacetamide (PubChem CID 29001724) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-hexoxyacetamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-hexoxyacetamide
PubChem CID29001724
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-(3-cyanophenyl)-2-hexoxyacetamide
SMILESCCCCCCOCC(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C15H20N2O2/c1-2-3-4-5-9-19-12-15(18)17-14-8-6-7-13(10-14)11-16/h6-8,10H,2-5,9,12H2,1H3,(H,17,18)
InChIKeyOFWSCIIJUGUPLF-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
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

N-(4-cyanophenyl)-2-hexoxyacetamide
CID 29001744
N-(3-cyanophenyl)octanamide
CID 4958584
N-(3-cyanophenyl)-4-pentoxybenzamide
CID 4935007
4-butylsulfanyl-N-(3-cyanophenyl)butanamide
CID 43615804
[2-(3-cyanoanilino)-2-oxoethyl] 2-methylpropanoate
CID 7782584
N-[(3-cyanophenyl)carbamothioyl]hexanamide
CID 4954024
3-butylsulfinyl-N-(3-cyanophenyl)propanamide
CID 64692135
[2-(3-cyanoanilino)-2-oxoethyl] 2-(butylamino)benzoate
CID 7152462
N-(3-cyanophenyl)-2-(3,5-dimethoxyphenoxy)acetamide
CID 7713816
N-(3-cyanophenyl)-2-(3,5-dimethylphenoxy)acetamide
CID 926866
N-(3-cyanophenyl)-2-(oxan-4-yloxy)acetamide
CID 61287978
[2-(3-cyanoanilino)-2-oxoethyl] 3-hexyl-4-oxophthalazine-1-carboxylate
CID 16502881

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-hexoxyacetamide?
The IUPAC name of N-(3-cyanophenyl)-2-hexoxyacetamide (CID 29001724) is N-(3-cyanophenyl)-2-hexoxyacetamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-hexoxyacetamide?
The canonical SMILES for N-(3-cyanophenyl)-2-hexoxyacetamide is CCCCCCOCC(=O)Nc1cccc(C#N)c1.
What is the InChIKey of N-(3-cyanophenyl)-2-hexoxyacetamide?
The InChIKey is OFWSCIIJUGUPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-2-3-4-5-9-19-12-15(18)17-14-8-6-7-13(10-14)11-16/h6-8,10H,2-5,9,12H2,1H3,(H,17,18).
What are the key properties of N-(3-cyanophenyl)-2-hexoxyacetamide?
N-(3-cyanophenyl)-2-hexoxyacetamide has a molecular weight of 260.34 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-hexoxyacetamide is sourced from PubChem (CID 29001724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).