2-[2-(4-cyanophenoxy)ethoxy]-N-methylbenzamide

C17H16N2O3 — CID 167745034

IUPAC2-[2-(4-cyanophenoxy)ethoxy]-N-methylbenzamide
SMILESCNC(=O)c1ccccc1OCCOc1ccc(C#N)cc1
InChIInChI=1S/C17H16N2O3/c1-19-17(20)15-4-2-3-5-16(15)22-11-10-21-14-8-6-13(12-18)7-9-14/h2-9H,10-11H2,1H3,(H,19,20)
InChIKeyLBDZMYBVUZDDFZ-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.38
Rot. Bonds6

About 2-[2-(4-cyanophenoxy)ethoxy]-N-methylbenzamide

2-[2-(4-cyanophenoxy)ethoxy]-N-methylbenzamide (PubChem CID 167745034) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-[2-(4-cyanophenoxy)ethoxy]-N-methylbenzamide.

Molecular Properties

Compound Name2-[2-(4-cyanophenoxy)ethoxy]-N-methylbenzamide
PubChem CID167745034
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name2-[2-(4-cyanophenoxy)ethoxy]-N-methylbenzamide
SMILESCNC(=O)c1ccccc1OCCOc1ccc(C#N)cc1
InChIInChI=1S/C17H16N2O3/c1-19-17(20)15-4-2-3-5-16(15)22-11-10-21-14-8-6-13(12-18)7-9-14/h2-9H,10-11H2,1H3,(H,19,20)
InChIKeyLBDZMYBVUZDDFZ-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
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-(4-tert-butylphenoxy)propoxy]-N-methylbenzamide
CID 52586623
N-methyl-2-[[2-(2-phenoxyethoxy)benzoyl]amino]benzamide
CID 17354042
N-[(4-cyanophenyl)carbamothioyl]-2-(2-methoxyethoxy)benzamide
CID 17355897
(4-cyanophenyl)methyl 2-(2-phenoxyethoxy)benzoate
CID 4562658
2-[2-(dimethylamino)ethoxy]-N-methylbenzamide
CID 69175199
ethane;2-ethoxy-N-methylbenzamide
CID 142472808
4-[2-[2-(hydroxymethyl)phenoxy]ethoxy]benzonitrile
CID 60772346
2-[2-(methylcarbamoyl)phenoxy]acetic acid
CID 3026256
2-[2-(3-cyanophenoxy)ethoxy]benzoic acid
CID 43532247
2-methyl-N'-[2-(2-phenoxyethoxy)benzoyl]benzohydrazide
CID 4954440
2-(2-phenoxyethoxy)-N-(4-propoxyphenyl)benzamide
CID 4954419
N-(4-ethoxyphenyl)-2-(2-phenoxyethoxy)benzamide
CID 4954273

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-cyanophenoxy)ethoxy]-N-methylbenzamide?
The IUPAC name of 2-[2-(4-cyanophenoxy)ethoxy]-N-methylbenzamide (CID 167745034) is 2-[2-(4-cyanophenoxy)ethoxy]-N-methylbenzamide.
What is the SMILES notation for 2-[2-(4-cyanophenoxy)ethoxy]-N-methylbenzamide?
The canonical SMILES for 2-[2-(4-cyanophenoxy)ethoxy]-N-methylbenzamide is CNC(=O)c1ccccc1OCCOc1ccc(C#N)cc1.
What is the InChIKey of 2-[2-(4-cyanophenoxy)ethoxy]-N-methylbenzamide?
The InChIKey is LBDZMYBVUZDDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-19-17(20)15-4-2-3-5-16(15)22-11-10-21-14-8-6-13(12-18)7-9-14/h2-9H,10-11H2,1H3,(H,19,20).
What are the key properties of 2-[2-(4-cyanophenoxy)ethoxy]-N-methylbenzamide?
2-[2-(4-cyanophenoxy)ethoxy]-N-methylbenzamide has a molecular weight of 296.33 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-cyanophenoxy)ethoxy]-N-methylbenzamide is sourced from PubChem (CID 167745034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).