2-[2-(2-cyanophenoxy)ethyl-ethylamino]-N-methylacetamide

C14H19N3O2 — CID 61236356

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

About 2-[2-(2-cyanophenoxy)ethyl-ethylamino]-N-methylacetamide

2-[2-(2-cyanophenoxy)ethyl-ethylamino]-N-methylacetamide (PubChem CID 61236356) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-[2-(2-cyanophenoxy)ethyl-ethylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-(2-cyanophenoxy)ethyl-ethylamino]-N-methylacetamide
PubChem CID61236356
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2-[2-(2-cyanophenoxy)ethyl-ethylamino]-N-methylacetamide
SMILESCCN(CCOc1ccccc1C#N)CC(=O)NC
InChIInChI=1S/C14H19N3O2/c1-3-17(11-14(18)16-2)8-9-19-13-7-5-4-6-12(13)10-15/h4-7H,3,8-9,11H2,1-2H3,(H,16,18)
InChIKeyPLVLCPUCPXFFJX-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

3-(2-cyanophenoxy)-N-methylpropanamide
CID 62326067
2-[2-(2-cyanophenoxy)ethyl-methylamino]-N-ethylacetamide
CID 61221683
2-[2-[bis(2-hydroxyethyl)amino]ethoxy]benzonitrile
CID 61234483
2-[2-[ethyl(methyl)amino]ethoxy]benzonitrile
CID 43288930
2-[(2-cyanophenyl)methyl-propylamino]-N-methylacetamide
CID 54978738
2-[2-[ethyl(pyridin-4-ylmethyl)amino]ethoxy]benzonitrile
CID 61450560
2-(2-cyanophenoxy)-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-3-methylbutanamide
CID 55959747
2-[2-[ethyl(propan-2-yl)amino]ethoxy]benzonitrile
CID 43288965
2-(2-cyanophenyl)-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]benzamide
CID 60513634
2-[2-[benzyl(2-hydroxyethyl)amino]ethoxy]benzonitrile
CID 110910679
2-[2-[3-hydroxypropyl(methyl)amino]ethoxy]benzonitrile
CID 113233526
2-[(2-cyanophenyl)sulfonyl-methylamino]-N-methylacetamide
CID 9356240

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-cyanophenoxy)ethyl-ethylamino]-N-methylacetamide?
The IUPAC name of 2-[2-(2-cyanophenoxy)ethyl-ethylamino]-N-methylacetamide (CID 61236356) is 2-[2-(2-cyanophenoxy)ethyl-ethylamino]-N-methylacetamide.
What is the SMILES notation for 2-[2-(2-cyanophenoxy)ethyl-ethylamino]-N-methylacetamide?
The canonical SMILES for 2-[2-(2-cyanophenoxy)ethyl-ethylamino]-N-methylacetamide is CCN(CCOc1ccccc1C#N)CC(=O)NC.
What is the InChIKey of 2-[2-(2-cyanophenoxy)ethyl-ethylamino]-N-methylacetamide?
The InChIKey is PLVLCPUCPXFFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-3-17(11-14(18)16-2)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-ethylamino]-N-methylacetamide?
2-[2-(2-cyanophenoxy)ethyl-ethylamino]-N-methylacetamide 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-ethylamino]-N-methylacetamide is sourced from PubChem (CID 61236356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).