2-cyano-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]acetamide

C14H19N3O2 — CID 20993633

IUPAC2-cyano-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]acetamide
SMILESCN(C)CCOc1ccc(CNC(=O)CC#N)cc1
InChIInChI=1S/C14H19N3O2/c1-17(2)9-10-19-13-5-3-12(4-6-13)11-16-14(18)7-8-15/h3-6H,7,9-11H2,1-2H3,(H,16,18)
InChIKeyDUIIMKMBLSHQBT-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.16
Rot. Bonds7

About 2-cyano-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]acetamide

2-cyano-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]acetamide (PubChem CID 20993633) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-cyano-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]acetamide
PubChem CID20993633
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2-cyano-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]acetamide
SMILESCN(C)CCOc1ccc(CNC(=O)CC#N)cc1
InChIInChI=1S/C14H19N3O2/c1-17(2)9-10-19-13-5-3-12(4-6-13)11-16-14(18)7-8-15/h3-6H,7,9-11H2,1-2H3,(H,16,18)
InChIKeyDUIIMKMBLSHQBT-UHFFFAOYSA-N
XLogP1.16
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 ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-cyano-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyano-N-[[4-(2-phenoxyethoxy)phenyl]methyl]acetamide
CID 20992997
2-cyano-N-[(4-ethoxyphenyl)methyl]acetamide
CID 20991624
N-[[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methyl]-2-cyanoacetamide
CID 20985280
2-cyano-N-[[4-(2-phenylethoxy)phenyl]methyl]acetamide
CID 22682756
2-amino-N-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]acetamide
CID 83332704
4-butoxy-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]benzamide
CID 15136982
2-cyano-N-[[4-[3-(dimethylamino)propoxy]-3-methoxyphenyl]methyl]acetamide
CID 22683884
4-tert-butyl-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]benzamide
CID 15136995
2-cyano-N-[[4-(4-methoxyphenoxy)phenyl]methyl]acetamide
CID 20984709
2-(2,6-dichlorophenyl)-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]acetamide
CID 60520543
2-cyano-N-[[4-[2-(3-methyl-4-propan-2-ylphenoxy)ethoxy]phenyl]methyl]acetamide
CID 22687439
2-cyano-N-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]acetamide
CID 20984632

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]acetamide?
The IUPAC name of 2-cyano-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]acetamide (CID 20993633) is 2-cyano-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]acetamide.
What is the SMILES notation for 2-cyano-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]acetamide?
The canonical SMILES for 2-cyano-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]acetamide is CN(C)CCOc1ccc(CNC(=O)CC#N)cc1.
What is the InChIKey of 2-cyano-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]acetamide?
The InChIKey is DUIIMKMBLSHQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-17(2)9-10-19-13-5-3-12(4-6-13)11-16-14(18)7-8-15/h3-6H,7,9-11H2,1-2H3,(H,16,18).
What are the key properties of 2-cyano-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]acetamide?
2-cyano-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]acetamide has a molecular weight of 261.32 g/mol, XLogP of 1.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]acetamide is sourced from PubChem (CID 20993633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).