N-[2-(3-cyanophenoxy)ethyl]acetamide

C11H12N2O2 — CID 176934412

IUPACN-[2-(3-cyanophenoxy)ethyl]acetamide
SMILESCC(=O)NCCOc1cccc(C#N)c1
InChIInChI=1S/C11H12N2O2/c1-9(14)13-5-6-15-11-4-2-3-10(7-11)8-12/h2-4,7H,5-6H2,1H3,(H,13,14)
InChIKeyIRSGNPOPTAVFSP-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.07
Rot. Bonds4

About N-[2-(3-cyanophenoxy)ethyl]acetamide

N-[2-(3-cyanophenoxy)ethyl]acetamide (PubChem CID 176934412) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is N-[2-(3-cyanophenoxy)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(3-cyanophenoxy)ethyl]acetamide
PubChem CID176934412
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC NameN-[2-(3-cyanophenoxy)ethyl]acetamide
SMILESCC(=O)NCCOc1cccc(C#N)c1
InChIInChI=1S/C11H12N2O2/c1-9(14)13-5-6-15-11-4-2-3-10(7-11)8-12/h2-4,7H,5-6H2,1H3,(H,13,14)
InChIKeyIRSGNPOPTAVFSP-UHFFFAOYSA-N
XLogP1.07
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.07
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-bromo-N-[2-(3-cyanophenoxy)ethyl]acetamide
CID 68829328
2-(3-cyanophenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 9457314
2-chloro-N-[3-(3-cyanophenoxy)propyl]acetamide
CID 118436983
3-(5-oxohexoxy)benzonitrile
CID 62030651
3-[2-(tert-butylamino)ethoxy]benzonitrile
CID 60981282
N-[2-(3-chlorophenoxy)ethyl]acetamide;ethane
CID 177170822
1-[2-(3-bromophenoxy)ethyl]-3-(3-cyanophenyl)urea
CID 112971253
1-(3-cyanophenyl)-3-[2-(3-ethylphenoxy)ethyl]urea
CID 112971990
N-[3-[3-[(4-cyanophenyl)carbamoylamino]propoxy]phenyl]acetamide
CID 74229032
[2-oxo-2-(2-phenoxyethylamino)ethyl] 3-cyanobenzoate
CID 18193603
N-[2-[2-[2-(3-cyanophenoxy)ethylamino]-2-oxoethyl]phenyl]prop-2-enamide
CID 166420847
3-[2-(4-methoxyphenoxy)ethoxy]benzonitrile
CID 22686799

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-cyanophenoxy)ethyl]acetamide?
The IUPAC name of N-[2-(3-cyanophenoxy)ethyl]acetamide (CID 176934412) is N-[2-(3-cyanophenoxy)ethyl]acetamide.
What is the SMILES notation for N-[2-(3-cyanophenoxy)ethyl]acetamide?
The canonical SMILES for N-[2-(3-cyanophenoxy)ethyl]acetamide is CC(=O)NCCOc1cccc(C#N)c1.
What is the InChIKey of N-[2-(3-cyanophenoxy)ethyl]acetamide?
The InChIKey is IRSGNPOPTAVFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-9(14)13-5-6-15-11-4-2-3-10(7-11)8-12/h2-4,7H,5-6H2,1H3,(H,13,14).
What are the key properties of N-[2-(3-cyanophenoxy)ethyl]acetamide?
N-[2-(3-cyanophenoxy)ethyl]acetamide has a molecular weight of 204.23 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-cyanophenoxy)ethyl]acetamide is sourced from PubChem (CID 176934412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).