2-(4-cyanophenoxy)-N-(3-cyclohexyloxypropyl)propanamide

C19H26N2O3 — CID 51222307

IUPAC2-(4-cyanophenoxy)-N-(3-cyclohexyloxypropyl)propanamide
SMILESCC(Oc1ccc(C#N)cc1)C(=O)NCCCOC1CCCCC1
InChIInChI=1S/C19H26N2O3/c1-15(24-18-10-8-16(14-20)9-11-18)19(22)21-12-5-13-23-17-6-3-2-4-7-17/h8-11,15,17H,2-7,12-13H2,1H3,(H,21,22)
InChIKeyZUPMIXFBOLZJRU-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.18
Rot. Bonds8

About 2-(4-cyanophenoxy)-N-(3-cyclohexyloxypropyl)propanamide

2-(4-cyanophenoxy)-N-(3-cyclohexyloxypropyl)propanamide (PubChem CID 51222307) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-(3-cyclohexyloxypropyl)propanamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-(3-cyclohexyloxypropyl)propanamide
PubChem CID51222307
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name2-(4-cyanophenoxy)-N-(3-cyclohexyloxypropyl)propanamide
SMILESCC(Oc1ccc(C#N)cc1)C(=O)NCCCOC1CCCCC1
InChIInChI=1S/C19H26N2O3/c1-15(24-18-10-8-16(14-20)9-11-18)19(22)21-12-5-13-23-17-6-3-2-4-7-17/h8-11,15,17H,2-7,12-13H2,1H3,(H,21,22)
InChIKeyZUPMIXFBOLZJRU-UHFFFAOYSA-N
XLogP3.18
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-cyanophenoxy)-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 51157171
2-(4-cyanophenoxy)-N-[4-(4-fluorophenoxy)butyl]propanamide
CID 51260411
2-[(4-cyanophenyl)methyl-methylamino]-N-(3-cyclohexyloxypropyl)acetamide
CID 87016434
4-(3-cycloheptyloxypropoxy)benzonitrile
CID 61070271
2-(4-cyanophenoxy)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide
CID 47034520
(2R)-2-(4-cyanophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 7503312
(2R)-2-(4-cyanophenoxy)-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]propanamide
CID 94796902
2-(4-cyanophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide
CID 43010252
(2R)-N-(3-cyclopentyloxypropyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 100667207
4-[2-(4-cyanophenoxy)propanoylamino]-2-hydroxybutanoic acid
CID 107832580
2-amino-N-(3-cyclohexyloxypropyl)propanamide
CID 61275790
4-acetyl-3-(3-cyclohexyloxypropylamino)benzonitrile
CID 75452823

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-(3-cyclohexyloxypropyl)propanamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-(3-cyclohexyloxypropyl)propanamide (CID 51222307) is 2-(4-cyanophenoxy)-N-(3-cyclohexyloxypropyl)propanamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-(3-cyclohexyloxypropyl)propanamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-(3-cyclohexyloxypropyl)propanamide is CC(Oc1ccc(C#N)cc1)C(=O)NCCCOC1CCCCC1.
What is the InChIKey of 2-(4-cyanophenoxy)-N-(3-cyclohexyloxypropyl)propanamide?
The InChIKey is ZUPMIXFBOLZJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-15(24-18-10-8-16(14-20)9-11-18)19(22)21-12-5-13-23-17-6-3-2-4-7-17/h8-11,15,17H,2-7,12-13H2,1H3,(H,21,22).
What are the key properties of 2-(4-cyanophenoxy)-N-(3-cyclohexyloxypropyl)propanamide?
2-(4-cyanophenoxy)-N-(3-cyclohexyloxypropyl)propanamide has a molecular weight of 330.43 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-(3-cyclohexyloxypropyl)propanamide is sourced from PubChem (CID 51222307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).