N-(4-cyanophenoxy)acetamide

C9H8N2O2 — CID 174609340

IUPACN-(4-cyanophenoxy)acetamide
SMILESCC(=O)NOc1ccc(C#N)cc1
InChIInChI=1S/C9H8N2O2/c1-7(12)11-13-9-4-2-8(6-10)3-5-9/h2-5H,1H3,(H,11,12)
InChIKeyOLPJZJXLDGWNKR-UHFFFAOYSA-N
MW176.17 g/mol
LogP0.99
Rot. Bonds2

About N-(4-cyanophenoxy)acetamide

N-(4-cyanophenoxy)acetamide (PubChem CID 174609340) has the molecular formula C9H8N2O2 and a molecular weight of 176.17 g/mol. Its IUPAC name is N-(4-cyanophenoxy)acetamide.

Molecular Properties

Compound NameN-(4-cyanophenoxy)acetamide
PubChem CID174609340
Molecular FormulaC9H8N2O2
Molecular Weight176.17 g/mol
Exact Mass176.06
IUPAC NameN-(4-cyanophenoxy)acetamide
SMILESCC(=O)NOc1ccc(C#N)cc1
InChIInChI=1S/C9H8N2O2/c1-7(12)11-13-9-4-2-8(6-10)3-5-9/h2-5H,1H3,(H,11,12)
InChIKeyOLPJZJXLDGWNKR-UHFFFAOYSA-N
XLogP0.99
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-cyanophenoxy)-2-oxopropanamide
CID 175370442
4-[(2R)-3-oxobutan-2-yl]oxybenzonitrile
CID 6933766
N-[4-[2-(4-cyanophenoxy)ethoxy]phenyl]acetamide
CID 51142297
2-(4-cyanophenoxy)-N,N-dimethylpropanamide
CID 17400502
(2S)-2-(4-cyanophenoxy)propanoic acid
CID 7127729
ethane;4-(3-oxobutoxy)benzonitrile
CID 91075303
(4-acetamidophenyl) 2-(4-cyanophenoxy)acetate
CID 26681952
(4-cyanophenyl) propanoate
CID 643285
[2-[di(propan-2-yl)amino]-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate
CID 7983674
4-methoxy(13C)benzonitrile
CID 175991125
methyl 2-[acetyl(methyl)amino]-2-(4-cyanophenyl)acetate
CID 101373466
2-(4-cyanophenoxy)-N,N-diethylpropanamide
CID 43083146

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenoxy)acetamide?
The IUPAC name of N-(4-cyanophenoxy)acetamide (CID 174609340) is N-(4-cyanophenoxy)acetamide.
What is the SMILES notation for N-(4-cyanophenoxy)acetamide?
The canonical SMILES for N-(4-cyanophenoxy)acetamide is CC(=O)NOc1ccc(C#N)cc1.
What is the InChIKey of N-(4-cyanophenoxy)acetamide?
The InChIKey is OLPJZJXLDGWNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c1-7(12)11-13-9-4-2-8(6-10)3-5-9/h2-5H,1H3,(H,11,12).
What are the key properties of N-(4-cyanophenoxy)acetamide?
N-(4-cyanophenoxy)acetamide has a molecular weight of 176.17 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenoxy)acetamide is sourced from PubChem (CID 174609340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).