N-(4-cyanophenyl)-2-hexoxyacetamide

C15H20N2O2 — CID 29001744

IUPACN-(4-cyanophenyl)-2-hexoxyacetamide
SMILESCCCCCCOCC(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C15H20N2O2/c1-2-3-4-5-10-19-12-15(18)17-14-8-6-13(11-16)7-9-14/h6-9H,2-5,10,12H2,1H3,(H,17,18)
InChIKeyCIVWNYYWSVZAOF-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.09
Rot. Bonds8

About N-(4-cyanophenyl)-2-hexoxyacetamide

N-(4-cyanophenyl)-2-hexoxyacetamide (PubChem CID 29001744) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-hexoxyacetamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-hexoxyacetamide
PubChem CID29001744
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-(4-cyanophenyl)-2-hexoxyacetamide
SMILESCCCCCCOCC(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C15H20N2O2/c1-2-3-4-5-10-19-12-15(18)17-14-8-6-13(11-16)7-9-14/h6-9H,2-5,10,12H2,1H3,(H,17,18)
InChIKeyCIVWNYYWSVZAOF-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-(3-cyanophenyl)-2-hexoxyacetamide
CID 29001724
2-(2-aminoethoxy)-N-(4-cyanophenyl)acetamide
CID 79463677
4-(2-hexoxyacetyl)benzonitrile
CID 43800645
N-(4-cyanophenyl)pentanamide
CID 2162994
N-[4-(aminomethyl)phenyl]-2-pentoxyacetamide
CID 43275032
N-(4-cyanophenyl)-4-decoxybenzamide
CID 101059552
N-(4-cyanophenyl)-2-pentoxypropanamide
CID 43275133
N-(4-cyanophenyl)-3-(2-propoxyethoxy)propanamide
CID 63685828
[2-(4-cyanoanilino)-2-oxoethyl] propanoate
CID 7851425
2-[4-[(2-pentoxyacetyl)amino]phenyl]-N-propan-2-ylacetamide
CID 86871791
N-(4-butylphenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7671061
2-butylsulfinyl-N-(4-cyanophenyl)acetamide
CID 64692326

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-hexoxyacetamide?
The IUPAC name of N-(4-cyanophenyl)-2-hexoxyacetamide (CID 29001744) is N-(4-cyanophenyl)-2-hexoxyacetamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-hexoxyacetamide?
The canonical SMILES for N-(4-cyanophenyl)-2-hexoxyacetamide is CCCCCCOCC(=O)Nc1ccc(C#N)cc1.
What is the InChIKey of N-(4-cyanophenyl)-2-hexoxyacetamide?
The InChIKey is CIVWNYYWSVZAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-2-3-4-5-10-19-12-15(18)17-14-8-6-13(11-16)7-9-14/h6-9H,2-5,10,12H2,1H3,(H,17,18).
What are the key properties of N-(4-cyanophenyl)-2-hexoxyacetamide?
N-(4-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-(4-cyanophenyl)-2-hexoxyacetamide is sourced from PubChem (CID 29001744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).