3-[2-(3-cyanophenyl)ethoxy]-N-cyclohexyl-N-(2,2-dimethoxyethyl)propanamide

C22H32N2O4 — CID 58168555

IUPAC3-[2-(3-cyanophenyl)ethoxy]-N-cyclohexyl-N-(2,2-dimethoxyethyl)propanamide
SMILESCOC(CN(C(=O)CCOCCc1cccc(C#N)c1)C1CCCCC1)OC
InChIInChI=1S/C22H32N2O4/c1-26-22(27-2)17-24(20-9-4-3-5-10-20)21(25)12-14-28-13-11-18-7-6-8-19(15-18)16-23/h6-8,15,20,22H,3-5,9-14,17H2,1-2H3
InChIKeyGSWHBIKVEYLXEF-UHFFFAOYSA-N
MW388.51 g/mol
LogP3.29
Rot. Bonds11

About 3-[2-(3-cyanophenyl)ethoxy]-N-cyclohexyl-N-(2,2-dimethoxyethyl)propanamide

3-[2-(3-cyanophenyl)ethoxy]-N-cyclohexyl-N-(2,2-dimethoxyethyl)propanamide (PubChem CID 58168555) has the molecular formula C22H32N2O4 and a molecular weight of 388.51 g/mol. Its IUPAC name is 3-[2-(3-cyanophenyl)ethoxy]-N-cyclohexyl-N-(2,2-dimethoxyethyl)propanamide.

Molecular Properties

Compound Name3-[2-(3-cyanophenyl)ethoxy]-N-cyclohexyl-N-(2,2-dimethoxyethyl)propanamide
PubChem CID58168555
Molecular FormulaC22H32N2O4
Molecular Weight388.51 g/mol
Exact Mass388.24
IUPAC Name3-[2-(3-cyanophenyl)ethoxy]-N-cyclohexyl-N-(2,2-dimethoxyethyl)propanamide
SMILESCOC(CN(C(=O)CCOCCc1cccc(C#N)c1)C1CCCCC1)OC
InChIInChI=1S/C22H32N2O4/c1-26-22(27-2)17-24(20-9-4-3-5-10-20)21(25)12-14-28-13-11-18-7-6-8-19(15-18)16-23/h6-8,15,20,22H,3-5,9-14,17H2,1-2H3
InChIKeyGSWHBIKVEYLXEF-UHFFFAOYSA-N
XLogP3.29
TPSA71.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-cyanophenyl)ethoxy]-N-cyclohexyl-N-(2,2-dimethoxyethyl)propanamide?
The IUPAC name of 3-[2-(3-cyanophenyl)ethoxy]-N-cyclohexyl-N-(2,2-dimethoxyethyl)propanamide (CID 58168555) is 3-[2-(3-cyanophenyl)ethoxy]-N-cyclohexyl-N-(2,2-dimethoxyethyl)propanamide.
What is the SMILES notation for 3-[2-(3-cyanophenyl)ethoxy]-N-cyclohexyl-N-(2,2-dimethoxyethyl)propanamide?
The canonical SMILES for 3-[2-(3-cyanophenyl)ethoxy]-N-cyclohexyl-N-(2,2-dimethoxyethyl)propanamide is COC(CN(C(=O)CCOCCc1cccc(C#N)c1)C1CCCCC1)OC.
What is the InChIKey of 3-[2-(3-cyanophenyl)ethoxy]-N-cyclohexyl-N-(2,2-dimethoxyethyl)propanamide?
The InChIKey is GSWHBIKVEYLXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O4/c1-26-22(27-2)17-24(20-9-4-3-5-10-20)21(25)12-14-28-13-11-18-7-6-8-19(15-18)16-23/h6-8,15,20,22H,3-5,9-14,17H2,1-2H3.
What are the key properties of 3-[2-(3-cyanophenyl)ethoxy]-N-cyclohexyl-N-(2,2-dimethoxyethyl)propanamide?
3-[2-(3-cyanophenyl)ethoxy]-N-cyclohexyl-N-(2,2-dimethoxyethyl)propanamide has a molecular weight of 388.51 g/mol, XLogP of 3.29, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-cyanophenyl)ethoxy]-N-cyclohexyl-N-(2,2-dimethoxyethyl)propanamide is sourced from PubChem (CID 58168555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).