2-[4-(4-cyanophenyl)phenoxy]-N-propan-2-ylpropanamide

C19H20N2O2 — CID 51183672

IUPAC2-[4-(4-cyanophenyl)phenoxy]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)Oc1ccc(-c2ccc(C#N)cc2)cc1
InChIInChI=1S/C19H20N2O2/c1-13(2)21-19(22)14(3)23-18-10-8-17(9-11-18)16-6-4-15(12-20)5-7-16/h4-11,13-14H,1-3H3,(H,21,22)
InChIKeyTUTVSOKIHGEYOD-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.52
Rot. Bonds5

About 2-[4-(4-cyanophenyl)phenoxy]-N-propan-2-ylpropanamide

2-[4-(4-cyanophenyl)phenoxy]-N-propan-2-ylpropanamide (PubChem CID 51183672) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-[4-(4-cyanophenyl)phenoxy]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-[4-(4-cyanophenyl)phenoxy]-N-propan-2-ylpropanamide
PubChem CID51183672
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name2-[4-(4-cyanophenyl)phenoxy]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)Oc1ccc(-c2ccc(C#N)cc2)cc1
InChIInChI=1S/C19H20N2O2/c1-13(2)21-19(22)14(3)23-18-10-8-17(9-11-18)16-6-4-15(12-20)5-7-16/h4-11,13-14H,1-3H3,(H,21,22)
InChIKeyTUTVSOKIHGEYOD-UHFFFAOYSA-N
XLogP3.52
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-(4-cyanophenyl)phenoxy]-N-propan-2-ylpropanamide 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-(4-cyanophenoxy)-N-(1,3-dihydroxypropan-2-yl)propanamide
CID 65315312
(2S)-2-[2-(4-cyanophenoxy)propanoylamino]-3-methylbutanoic acid
CID 61136472
2-(4-cyanophenoxy)-N-[(2S)-1-hydroxybutan-2-yl]propanamide
CID 104981500
(2S)-2-[4-(4-cyanophenyl)phenoxy]-N-(3,5-dichlorophenyl)propanamide
CID 7670178
[2-oxo-2-(propan-2-ylamino)ethyl] (2S)-2-(4-cyanophenoxy)propanoate
CID 7983615
(2S)-2-(4-cyanophenoxy)propanoic acid
CID 7127729
4-[(2R)-3-oxobutan-2-yl]oxybenzonitrile
CID 6933766
[(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] (2S)-2-(4-cyanophenoxy)propanoate
CID 8857080
methyl 2-[2-(4-cyanophenoxy)propanoylamino]-3-methylpentanoate
CID 78771684
4-[4-[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl]oxyphenyl]benzonitrile
CID 7670579
(2R)-2-(4-cyanophenoxy)-N-phenylpropanamide
CID 7503300
2-(4-cyanophenoxy)-N-propan-2-ylsulfonylpropanamide
CID 47458561

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-cyanophenyl)phenoxy]-N-propan-2-ylpropanamide?
The IUPAC name of 2-[4-(4-cyanophenyl)phenoxy]-N-propan-2-ylpropanamide (CID 51183672) is 2-[4-(4-cyanophenyl)phenoxy]-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-[4-(4-cyanophenyl)phenoxy]-N-propan-2-ylpropanamide?
The canonical SMILES for 2-[4-(4-cyanophenyl)phenoxy]-N-propan-2-ylpropanamide is CC(C)NC(=O)C(C)Oc1ccc(-c2ccc(C#N)cc2)cc1.
What is the InChIKey of 2-[4-(4-cyanophenyl)phenoxy]-N-propan-2-ylpropanamide?
The InChIKey is TUTVSOKIHGEYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-13(2)21-19(22)14(3)23-18-10-8-17(9-11-18)16-6-4-15(12-20)5-7-16/h4-11,13-14H,1-3H3,(H,21,22).
What are the key properties of 2-[4-(4-cyanophenyl)phenoxy]-N-propan-2-ylpropanamide?
2-[4-(4-cyanophenyl)phenoxy]-N-propan-2-ylpropanamide has a molecular weight of 308.38 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-cyanophenyl)phenoxy]-N-propan-2-ylpropanamide is sourced from PubChem (CID 51183672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).