N-(4-cyanophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide

C19H20N2O2 — CID 921044

IUPACN-(4-cyanophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
SMILESCc1ccc(C(C)C)c(OCC(=O)Nc2ccc(C#N)cc2)c1
InChIInChI=1S/C19H20N2O2/c1-13(2)17-9-4-14(3)10-18(17)23-12-19(22)21-16-7-5-15(11-20)6-8-16/h4-10,13H,12H2,1-3H3,(H,21,22)
InChIKeyZWLNCHJQTPUQAL-UHFFFAOYSA-N
MW308.38 g/mol
LogP4.01
Rot. Bonds5

About N-(4-cyanophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide

N-(4-cyanophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide (PubChem CID 921044) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
PubChem CID921044
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC NameN-(4-cyanophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
SMILESCc1ccc(C(C)C)c(OCC(=O)Nc2ccc(C#N)cc2)c1
InChIInChI=1S/C19H20N2O2/c1-13(2)17-9-4-14(3)10-18(17)23-12-19(22)21-16-7-5-15(11-20)6-8-16/h4-10,13H,12H2,1-3H3,(H,21,22)
InChIKeyZWLNCHJQTPUQAL-UHFFFAOYSA-N
XLogP4.01
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 ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-5-methylphenoxy)-N-(4-cyanophenyl)acetamide
CID 7642831
2-(5-methyl-2-propan-2-ylphenoxy)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 17071417
N-(3-methylphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 682181
N-(4-bromo-3-methylphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 1325958
2-(5-methyl-2-propan-2-ylphenoxy)-N-[4-(sulfamoylmethyl)phenyl]acetamide
CID 134019481
N-(3,5-dimethoxyphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 26218545
N-[3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide
CID 17231324
2-(5-methyl-2-propan-2-ylphenoxy)-N-(4-piperidin-1-ylphenyl)acetamide
CID 7922502
N-(3-bromophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 1181239
N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 26907016
2-(5-methyl-2-propan-2-ylphenoxy)-N-[4-(prop-2-enylsulfamoyl)phenyl]acetamide
CID 4929865
3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzamide
CID 16618761

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-(4-cyanophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide (CID 921044) is N-(4-cyanophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-(4-cyanophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide is Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(C#N)cc2)c1.
What is the InChIKey of N-(4-cyanophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The InChIKey is ZWLNCHJQTPUQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-13(2)17-9-4-14(3)10-18(17)23-12-19(22)21-16-7-5-15(11-20)6-8-16/h4-10,13H,12H2,1-3H3,(H,21,22).
What are the key properties of N-(4-cyanophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
N-(4-cyanophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide has a molecular weight of 308.38 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 921044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).