N-(4-cyanophenyl)-2-[4-(3-oxobutyl)phenoxy]propanamide

C20H20N2O3 — CID 42904100

IUPACN-(4-cyanophenyl)-2-[4-(3-oxobutyl)phenoxy]propanamide
SMILESCC(=O)CCc1ccc(OC(C)C(=O)Nc2ccc(C#N)cc2)cc1
InChIInChI=1S/C20H20N2O3/c1-14(23)3-4-16-7-11-19(12-8-16)25-15(2)20(24)22-18-9-5-17(13-21)6-10-18/h5-12,15H,3-4H2,1-2H3,(H,22,24)
InChIKeyPXNIYZOGWGFSCK-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.49
Rot. Bonds7

About N-(4-cyanophenyl)-2-[4-(3-oxobutyl)phenoxy]propanamide

N-(4-cyanophenyl)-2-[4-(3-oxobutyl)phenoxy]propanamide (PubChem CID 42904100) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-[4-(3-oxobutyl)phenoxy]propanamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-[4-(3-oxobutyl)phenoxy]propanamide
PubChem CID42904100
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC NameN-(4-cyanophenyl)-2-[4-(3-oxobutyl)phenoxy]propanamide
SMILESCC(=O)CCc1ccc(OC(C)C(=O)Nc2ccc(C#N)cc2)cc1
InChIInChI=1S/C20H20N2O3/c1-14(23)3-4-16-7-11-19(12-8-16)25-15(2)20(24)22-18-9-5-17(13-21)6-10-18/h5-12,15H,3-4H2,1-2H3,(H,22,24)
InChIKeyPXNIYZOGWGFSCK-UHFFFAOYSA-N
XLogP3.49
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(4-bromophenyl)-2-(4-cyanophenoxy)propanamide
CID 7503268
(2R)-2-(4-cyanophenoxy)-N-phenylpropanamide
CID 7503300
(2R)-2-(4-cyanophenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 2541572
(2R)-2-(4-cyanophenoxy)-N-(4-nitrophenyl)propanamide
CID 7832898
(2R)-N-(3-acetylphenyl)-2-[4-(3-oxobutyl)phenoxy]propanamide
CID 51906069
[(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl] 3-(4-fluorophenyl)propanoate
CID 8553222
(2S)-N-(4-cyanophenyl)-2-(3,4-dichlorophenoxy)propanamide
CID 7433052
2-(4-cyanophenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 16548273
2-(4-cyanophenoxy)-N-[4-(difluoromethylsulfanyl)phenyl]propanamide
CID 78773604
[(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] (2S)-2-(4-cyanophenoxy)propanoate
CID 8855250
(2R)-N-(4-cyanophenyl)-2-[4-(4-fluorobenzoyl)phenoxy]propanamide
CID 7433353
2-(4-cyanophenoxy)-N-naphthalen-2-ylpropanamide
CID 78762344

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-[4-(3-oxobutyl)phenoxy]propanamide?
The IUPAC name of N-(4-cyanophenyl)-2-[4-(3-oxobutyl)phenoxy]propanamide (CID 42904100) is N-(4-cyanophenyl)-2-[4-(3-oxobutyl)phenoxy]propanamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-[4-(3-oxobutyl)phenoxy]propanamide?
The canonical SMILES for N-(4-cyanophenyl)-2-[4-(3-oxobutyl)phenoxy]propanamide is CC(=O)CCc1ccc(OC(C)C(=O)Nc2ccc(C#N)cc2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-2-[4-(3-oxobutyl)phenoxy]propanamide?
The InChIKey is PXNIYZOGWGFSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-14(23)3-4-16-7-11-19(12-8-16)25-15(2)20(24)22-18-9-5-17(13-21)6-10-18/h5-12,15H,3-4H2,1-2H3,(H,22,24).
What are the key properties of N-(4-cyanophenyl)-2-[4-(3-oxobutyl)phenoxy]propanamide?
N-(4-cyanophenyl)-2-[4-(3-oxobutyl)phenoxy]propanamide has a molecular weight of 336.39 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-[4-(3-oxobutyl)phenoxy]propanamide is sourced from PubChem (CID 42904100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).