2-[2-(2-cyanophenoxy)ethyl-methylamino]-N-ethylacetamide

C14H19N3O2 — CID 61221683

IUPAC2-[2-(2-cyanophenoxy)ethyl-methylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(C)CCOc1ccccc1C#N
InChIInChI=1S/C14H19N3O2/c1-3-16-14(18)11-17(2)8-9-19-13-7-5-4-6-12(13)10-15/h4-7H,3,8-9,11H2,1-2H3,(H,16,18)
InChIKeyBXOWPFIRYBTISK-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.00
Rot. Bonds7

About 2-[2-(2-cyanophenoxy)ethyl-methylamino]-N-ethylacetamide

2-[2-(2-cyanophenoxy)ethyl-methylamino]-N-ethylacetamide (PubChem CID 61221683) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-[2-(2-cyanophenoxy)ethyl-methylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[2-(2-cyanophenoxy)ethyl-methylamino]-N-ethylacetamide
PubChem CID61221683
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2-[2-(2-cyanophenoxy)ethyl-methylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(C)CCOc1ccccc1C#N
InChIInChI=1S/C14H19N3O2/c1-3-16-14(18)11-17(2)8-9-19-13-7-5-4-6-12(13)10-15/h4-7H,3,8-9,11H2,1-2H3,(H,16,18)
InChIKeyBXOWPFIRYBTISK-UHFFFAOYSA-N
XLogP1.00
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[ethyl(methyl)amino]ethoxy]benzonitrile
CID 43288930
2-[2-(2-cyanophenoxy)ethyl-ethylamino]-N-methylacetamide
CID 61236356
2-[2-[3-hydroxypropyl(methyl)amino]ethoxy]benzonitrile
CID 113233526
3-(2-cyanophenoxy)-N-methylpropanamide
CID 62326067
2-[2-[methyl(2-methylpropyl)amino]ethoxy]benzonitrile
CID 43289050
N-(3-cyanothiophen-2-yl)-2-[2-(2-fluorophenoxy)ethyl-methylamino]acetamide
CID 26387602
2-[3-[benzyl(methyl)amino]propoxy]benzonitrile
CID 43288640
2-[2-[methyl(pyridin-2-ylmethyl)amino]ethoxy]benzonitrile
CID 43564981
2-[3-[3-(dimethylamino)propyl-methylamino]propoxy]benzonitrile
CID 63695573
3-(4-amino-2-cyanophenoxy)-N-ethylpropanamide
CID 55061966
2-[2-[methyl(2-pyridin-2-ylethyl)amino]ethoxy]benzonitrile
CID 43288846
2-[2-[bis(2-hydroxyethyl)amino]ethoxy]benzonitrile
CID 61234483

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-cyanophenoxy)ethyl-methylamino]-N-ethylacetamide?
The IUPAC name of 2-[2-(2-cyanophenoxy)ethyl-methylamino]-N-ethylacetamide (CID 61221683) is 2-[2-(2-cyanophenoxy)ethyl-methylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[2-(2-cyanophenoxy)ethyl-methylamino]-N-ethylacetamide?
The canonical SMILES for 2-[2-(2-cyanophenoxy)ethyl-methylamino]-N-ethylacetamide is CCNC(=O)CN(C)CCOc1ccccc1C#N.
What is the InChIKey of 2-[2-(2-cyanophenoxy)ethyl-methylamino]-N-ethylacetamide?
The InChIKey is BXOWPFIRYBTISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-3-16-14(18)11-17(2)8-9-19-13-7-5-4-6-12(13)10-15/h4-7H,3,8-9,11H2,1-2H3,(H,16,18).
What are the key properties of 2-[2-(2-cyanophenoxy)ethyl-methylamino]-N-ethylacetamide?
2-[2-(2-cyanophenoxy)ethyl-methylamino]-N-ethylacetamide has a molecular weight of 261.32 g/mol, XLogP of 1.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-cyanophenoxy)ethyl-methylamino]-N-ethylacetamide is sourced from PubChem (CID 61221683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).