3-[3-(2-methoxyethoxy)propoxy]-2-(methylamino)-2-phenylpropanenitrile

C16H24N2O3 — CID 103404528

IUPAC3-[3-(2-methoxyethoxy)propoxy]-2-(methylamino)-2-phenylpropanenitrile
SMILESCNC(C#N)(COCCCOCCOC)c1ccccc1
InChIInChI=1S/C16H24N2O3/c1-18-16(13-17,15-7-4-3-5-8-15)14-21-10-6-9-20-12-11-19-2/h3-5,7-8,18H,6,9-12,14H2,1-2H3
InChIKeyZEXPPPKKCYKUAV-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.69
Rot. Bonds11

About 3-[3-(2-methoxyethoxy)propoxy]-2-(methylamino)-2-phenylpropanenitrile

3-[3-(2-methoxyethoxy)propoxy]-2-(methylamino)-2-phenylpropanenitrile (PubChem CID 103404528) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-[3-(2-methoxyethoxy)propoxy]-2-(methylamino)-2-phenylpropanenitrile.

Molecular Properties

Compound Name3-[3-(2-methoxyethoxy)propoxy]-2-(methylamino)-2-phenylpropanenitrile
PubChem CID103404528
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name3-[3-(2-methoxyethoxy)propoxy]-2-(methylamino)-2-phenylpropanenitrile
SMILESCNC(C#N)(COCCCOCCOC)c1ccccc1
InChIInChI=1S/C16H24N2O3/c1-18-16(13-17,15-7-4-3-5-8-15)14-21-10-6-9-20-12-11-19-2/h3-5,7-8,18H,6,9-12,14H2,1-2H3
InChIKeyZEXPPPKKCYKUAV-UHFFFAOYSA-N
XLogP1.69
TPSA63.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[3-(2-methoxyethoxy)propoxy]-2-(methylamino)-2-phenylpropanenitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methoxyethoxy)propoxy]-2-(methylamino)-2-phenylpropanenitrile?
The IUPAC name of 3-[3-(2-methoxyethoxy)propoxy]-2-(methylamino)-2-phenylpropanenitrile (CID 103404528) is 3-[3-(2-methoxyethoxy)propoxy]-2-(methylamino)-2-phenylpropanenitrile.
What is the SMILES notation for 3-[3-(2-methoxyethoxy)propoxy]-2-(methylamino)-2-phenylpropanenitrile?
The canonical SMILES for 3-[3-(2-methoxyethoxy)propoxy]-2-(methylamino)-2-phenylpropanenitrile is CNC(C#N)(COCCCOCCOC)c1ccccc1.
What is the InChIKey of 3-[3-(2-methoxyethoxy)propoxy]-2-(methylamino)-2-phenylpropanenitrile?
The InChIKey is ZEXPPPKKCYKUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-18-16(13-17,15-7-4-3-5-8-15)14-21-10-6-9-20-12-11-19-2/h3-5,7-8,18H,6,9-12,14H2,1-2H3.
What are the key properties of 3-[3-(2-methoxyethoxy)propoxy]-2-(methylamino)-2-phenylpropanenitrile?
3-[3-(2-methoxyethoxy)propoxy]-2-(methylamino)-2-phenylpropanenitrile has a molecular weight of 292.38 g/mol, XLogP of 1.69, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methoxyethoxy)propoxy]-2-(methylamino)-2-phenylpropanenitrile is sourced from PubChem (CID 103404528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).