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

C18H18N2O3 — CID 9457314

IUPAC2-(3-cyanophenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide
SMILESCc1cccc(OCCNC(=O)COc2cccc(C#N)c2)c1
InChIInChI=1S/C18H18N2O3/c1-14-4-2-6-16(10-14)22-9-8-20-18(21)13-23-17-7-3-5-15(11-17)12-19/h2-7,10-11H,8-9,13H2,1H3,(H,20,21)
InChIKeyVUURKEDLCFEJKG-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.44
Rot. Bonds7

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

2-(3-cyanophenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide (PubChem CID 9457314) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 2-(3-cyanophenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-cyanophenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide
PubChem CID9457314
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name2-(3-cyanophenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide
SMILESCc1cccc(OCCNC(=O)COc2cccc(C#N)c2)c1
InChIInChI=1S/C18H18N2O3/c1-14-4-2-6-16(10-14)22-9-8-20-18(21)13-23-17-7-3-5-15(11-17)12-19/h2-7,10-11H,8-9,13H2,1H3,(H,20,21)
InChIKeyVUURKEDLCFEJKG-UHFFFAOYSA-N
XLogP2.44
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.44
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

2-(3-methylphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 24533364
N-[2-(4-methoxyphenoxy)ethyl]-2-(3-methylphenoxy)acetamide
CID 8935101
2-bromo-N-[2-(3-cyanophenoxy)ethyl]acetamide
CID 68829328
N-[2-(3-cyanophenoxy)ethyl]acetamide
CID 176934412
2-(2-chloro-4-cyano-6-methoxyphenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 9371909
2-chloro-N-[3-(3-cyanophenoxy)propyl]acetamide
CID 118436983
N-[2-(3,5-dimethylphenoxy)ethyl]-2-phenoxyacetamide
CID 19173987
2-[(6-iodo-3-pyridinyl)oxy]-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 71849880
N-[2-(3-methoxyphenoxy)ethyl]-2-(4-methylphenoxy)acetamide
CID 113099802
2-(2-bromo-4-methylphenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 9372061
[2-oxo-2-(2-phenoxyethylamino)ethyl] 3-cyanobenzoate
CID 18193603
2-(3-methyl-4-nitrophenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 31880593

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyanophenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide?
The IUPAC name of 2-(3-cyanophenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide (CID 9457314) is 2-(3-cyanophenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide.
What is the SMILES notation for 2-(3-cyanophenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide?
The canonical SMILES for 2-(3-cyanophenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide is Cc1cccc(OCCNC(=O)COc2cccc(C#N)c2)c1.
What is the InChIKey of 2-(3-cyanophenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide?
The InChIKey is VUURKEDLCFEJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-14-4-2-6-16(10-14)22-9-8-20-18(21)13-23-17-7-3-5-15(11-17)12-19/h2-7,10-11H,8-9,13H2,1H3,(H,20,21).
What are the key properties of 2-(3-cyanophenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide?
2-(3-cyanophenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide has a molecular weight of 310.35 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyanophenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide is sourced from PubChem (CID 9457314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).