2-[2-[4-(cyanomethyl)phenoxy]ethyl-methylamino]-N-methylacetamide

C14H19N3O2 — CID 43374872

IUPAC2-[2-[4-(cyanomethyl)phenoxy]ethyl-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)CCOc1ccc(CC#N)cc1
InChIInChI=1S/C14H19N3O2/c1-16-14(18)11-17(2)9-10-19-13-5-3-12(4-6-13)7-8-15/h3-6H,7,9-11H2,1-2H3,(H,16,18)
InChIKeyDEIAORKOYYABNR-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.81
Rot. Bonds7

About 2-[2-[4-(cyanomethyl)phenoxy]ethyl-methylamino]-N-methylacetamide

2-[2-[4-(cyanomethyl)phenoxy]ethyl-methylamino]-N-methylacetamide (PubChem CID 43374872) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-[2-[4-(cyanomethyl)phenoxy]ethyl-methylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-[4-(cyanomethyl)phenoxy]ethyl-methylamino]-N-methylacetamide
PubChem CID43374872
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2-[2-[4-(cyanomethyl)phenoxy]ethyl-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)CCOc1ccc(CC#N)cc1
InChIInChI=1S/C14H19N3O2/c1-16-14(18)11-17(2)9-10-19-13-5-3-12(4-6-13)7-8-15/h3-6H,7,9-11H2,1-2H3,(H,16,18)
InChIKeyDEIAORKOYYABNR-UHFFFAOYSA-N
XLogP0.81
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 ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[4-(aminomethyl)phenoxy]ethyl-methylamino]-N-methylacetamide
CID 43374648
2-[2-(4-bromophenoxy)ethyl-methylamino]-N-[4-(cyanomethyl)phenyl]acetamide
CID 9041183
2-[4-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]acetonitrile
CID 61427477
N-(2-cyanoethyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetamide
CID 18124582
3-[4-(cyanomethyl)phenoxy]propanoic acid
CID 16772282
2-[2-(4-cyanophenoxy)ethyl-methylamino]-N-cyclopropylacetamide
CID 60670088
2-[4-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]ethoxy]phenyl]acetonitrile
CID 61438180
2-[4-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethoxy]phenyl]acetonitrile
CID 63015364
4-[4-(cyanomethyl)phenoxy]butanehydrazide
CID 55213790
2-chloro-N-[2-[4-(cyanomethyl)phenoxy]ethyl]acetamide
CID 146086113
2-cyano-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]acetamide
CID 20993633
N-methyl-3-[4-(methylaminomethyl)phenoxy]propanamide
CID 62324162

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(cyanomethyl)phenoxy]ethyl-methylamino]-N-methylacetamide?
The IUPAC name of 2-[2-[4-(cyanomethyl)phenoxy]ethyl-methylamino]-N-methylacetamide (CID 43374872) is 2-[2-[4-(cyanomethyl)phenoxy]ethyl-methylamino]-N-methylacetamide.
What is the SMILES notation for 2-[2-[4-(cyanomethyl)phenoxy]ethyl-methylamino]-N-methylacetamide?
The canonical SMILES for 2-[2-[4-(cyanomethyl)phenoxy]ethyl-methylamino]-N-methylacetamide is CNC(=O)CN(C)CCOc1ccc(CC#N)cc1.
What is the InChIKey of 2-[2-[4-(cyanomethyl)phenoxy]ethyl-methylamino]-N-methylacetamide?
The InChIKey is DEIAORKOYYABNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-16-14(18)11-17(2)9-10-19-13-5-3-12(4-6-13)7-8-15/h3-6H,7,9-11H2,1-2H3,(H,16,18).
What are the key properties of 2-[2-[4-(cyanomethyl)phenoxy]ethyl-methylamino]-N-methylacetamide?
2-[2-[4-(cyanomethyl)phenoxy]ethyl-methylamino]-N-methylacetamide has a molecular weight of 261.32 g/mol, XLogP of 0.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(cyanomethyl)phenoxy]ethyl-methylamino]-N-methylacetamide is sourced from PubChem (CID 43374872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).