N-(3-cyanophenyl)-2-(4-propan-2-ylphenoxy)acetamide

C18H18N2O2 — CID 798498

IUPACN-(3-cyanophenyl)-2-(4-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccc(OCC(=O)Nc2cccc(C#N)c2)cc1
InChIInChI=1S/C18H18N2O2/c1-13(2)15-6-8-17(9-7-15)22-12-18(21)20-16-5-3-4-14(10-16)11-19/h3-10,13H,12H2,1-2H3,(H,20,21)
InChIKeyZZKOWNDWBNDXCK-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.70
Rot. Bonds5

About N-(3-cyanophenyl)-2-(4-propan-2-ylphenoxy)acetamide

N-(3-cyanophenyl)-2-(4-propan-2-ylphenoxy)acetamide (PubChem CID 798498) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-(4-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-(4-propan-2-ylphenoxy)acetamide
PubChem CID798498
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC NameN-(3-cyanophenyl)-2-(4-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccc(OCC(=O)Nc2cccc(C#N)c2)cc1
InChIInChI=1S/C18H18N2O2/c1-13(2)15-6-8-17(9-7-15)22-12-18(21)20-16-5-3-4-14(10-16)11-19/h3-10,13H,12H2,1-2H3,(H,20,21)
InChIKeyZZKOWNDWBNDXCK-UHFFFAOYSA-N
XLogP3.70
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-ethynylphenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 46420198
N-(3-cyanophenyl)-2-(3,5-dimethoxyphenoxy)acetamide
CID 7713816
N-(3-cyanophenyl)-2-(3,5-dimethylphenoxy)acetamide
CID 926866
1-(3-cyanophenyl)-3-[2-(4-propan-2-ylphenoxy)ethyl]urea
CID 112972654
2-[4-(butan-2-ylsulfamoyl)phenoxy]-N-(3-cyanophenyl)acetamide
CID 133163726
[2-(3-cyanoanilino)-2-oxoethyl] 2-methylpropanoate
CID 7782584
N-(3-chlorophenyl)-2-(3-cyanophenoxy)acetamide
CID 8933252
N-(3-cyanophenyl)-2-(3-fluorophenoxy)acetamide
CID 2709220
[2-(3-cyanoanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate
CID 7273984
N-(3-carbamothioylphenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 39158644
[2-(3-cyanoanilino)-2-oxoethyl] (2R)-2-(4-chlorophenyl)-3-methylbutanoate
CID 7133370
N-(3-cyanophenyl)-4-propan-2-ylbenzamide
CID 2552298

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-(4-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-(3-cyanophenyl)-2-(4-propan-2-ylphenoxy)acetamide (CID 798498) is N-(3-cyanophenyl)-2-(4-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-(4-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-(3-cyanophenyl)-2-(4-propan-2-ylphenoxy)acetamide is CC(C)c1ccc(OCC(=O)Nc2cccc(C#N)c2)cc1.
What is the InChIKey of N-(3-cyanophenyl)-2-(4-propan-2-ylphenoxy)acetamide?
The InChIKey is ZZKOWNDWBNDXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-13(2)15-6-8-17(9-7-15)22-12-18(21)20-16-5-3-4-14(10-16)11-19/h3-10,13H,12H2,1-2H3,(H,20,21).
What are the key properties of N-(3-cyanophenyl)-2-(4-propan-2-ylphenoxy)acetamide?
N-(3-cyanophenyl)-2-(4-propan-2-ylphenoxy)acetamide has a molecular weight of 294.35 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-(4-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 798498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).