N-[4-[2-(4-cyanophenoxy)ethoxy]phenyl]acetamide

C17H16N2O3 — CID 51142297

IUPACN-[4-[2-(4-cyanophenoxy)ethoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCCOc2ccc(C#N)cc2)cc1
InChIInChI=1S/C17H16N2O3/c1-13(20)19-15-4-8-17(9-5-15)22-11-10-21-16-6-2-14(12-18)3-7-16/h2-9H,10-11H2,1H3,(H,19,20)
InChIKeyIMSXFQCLFLGPHL-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.97
Rot. Bonds6

About N-[4-[2-(4-cyanophenoxy)ethoxy]phenyl]acetamide

N-[4-[2-(4-cyanophenoxy)ethoxy]phenyl]acetamide (PubChem CID 51142297) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-[4-[2-(4-cyanophenoxy)ethoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(4-cyanophenoxy)ethoxy]phenyl]acetamide
PubChem CID51142297
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC NameN-[4-[2-(4-cyanophenoxy)ethoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCCOc2ccc(C#N)cc2)cc1
InChIInChI=1S/C17H16N2O3/c1-13(20)19-15-4-8-17(9-5-15)22-11-10-21-16-6-2-14(12-18)3-7-16/h2-9H,10-11H2,1H3,(H,19,20)
InChIKeyIMSXFQCLFLGPHL-UHFFFAOYSA-N
XLogP2.97
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-acetamidophenyl) 2-(4-cyanophenoxy)acetate
CID 26681952
N-[4-(2-(113C)ethoxyethoxy)phenyl]acetamide
CID 54301804
N-[4-(3-chloropropoxy)phenyl]acetamide
CID 5147668
N-[3-[3-[(4-cyanophenyl)carbamoylamino]propoxy]phenyl]acetamide
CID 74229032
N-[4-[[4-[(4-cyanophenyl)diazenyl]phenyl]diazenyl]phenyl]acetamide
CID 126494635
ethane;4-(3-oxobutoxy)benzonitrile
CID 91075303
N-(4-cyanophenyl)-4-decoxybenzamide
CID 101059552
(2S)-2-[2-(4-cyanophenoxy)ethoxy]propanoic acid
CID 104875948
N-(4-cyanophenyl)-2-[4-(methylamino)phenoxy]acetamide
CID 61027849
1-[2-(4-tert-butylphenoxy)ethyl]-3-(4-cyanophenyl)urea
CID 112972931
N-(4-but-3-enoxyphenyl)acetamide
CID 11195080
N-(4-cyanophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7966728

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-cyanophenoxy)ethoxy]phenyl]acetamide?
The IUPAC name of N-[4-[2-(4-cyanophenoxy)ethoxy]phenyl]acetamide (CID 51142297) is N-[4-[2-(4-cyanophenoxy)ethoxy]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-(4-cyanophenoxy)ethoxy]phenyl]acetamide?
The canonical SMILES for N-[4-[2-(4-cyanophenoxy)ethoxy]phenyl]acetamide is CC(=O)Nc1ccc(OCCOc2ccc(C#N)cc2)cc1.
What is the InChIKey of N-[4-[2-(4-cyanophenoxy)ethoxy]phenyl]acetamide?
The InChIKey is IMSXFQCLFLGPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-13(20)19-15-4-8-17(9-5-15)22-11-10-21-16-6-2-14(12-18)3-7-16/h2-9H,10-11H2,1H3,(H,19,20).
What are the key properties of N-[4-[2-(4-cyanophenoxy)ethoxy]phenyl]acetamide?
N-[4-[2-(4-cyanophenoxy)ethoxy]phenyl]acetamide has a molecular weight of 296.33 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-cyanophenoxy)ethoxy]phenyl]acetamide is sourced from PubChem (CID 51142297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).