N-[4-(cyanomethyl)phenyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide

C20H22N2O2 — CID 9260247

IUPACN-[4-(cyanomethyl)phenyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
SMILESCc1ccc(C(C)C)cc1OCC(=O)Nc1ccc(CC#N)cc1
InChIInChI=1S/C20H22N2O2/c1-14(2)17-7-4-15(3)19(12-17)24-13-20(23)22-18-8-5-16(6-9-18)10-11-21/h4-9,12,14H,10,13H2,1-3H3,(H,22,23)
InChIKeyXUMSHJXQERXTCQ-UHFFFAOYSA-N
MW322.41 g/mol
LogP4.20
Rot. Bonds6

About N-[4-(cyanomethyl)phenyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide

N-[4-(cyanomethyl)phenyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide (PubChem CID 9260247) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[4-(cyanomethyl)phenyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-(cyanomethyl)phenyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
PubChem CID9260247
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC NameN-[4-(cyanomethyl)phenyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
SMILESCc1ccc(C(C)C)cc1OCC(=O)Nc1ccc(CC#N)cc1
InChIInChI=1S/C20H22N2O2/c1-14(2)17-7-4-15(3)19(12-17)24-13-20(23)22-18-8-5-16(6-9-18)10-11-21/h4-9,12,14H,10,13H2,1-3H3,(H,22,23)
InChIKeyXUMSHJXQERXTCQ-UHFFFAOYSA-N
XLogP4.20
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 7128264
N-[(4-acetamidophenyl)methyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 24685838
N-(2-cyanoethyl)-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 78909836
butyl 4-[[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 7926958
2-(2-methyl-5-propan-2-ylphenoxy)-N-propan-2-ylacetamide
CID 78906214
[2-[4-(cyanomethyl)anilino]-2-oxoethyl] 2-methylpropanoate
CID 8860626
[2-[4-(cyanomethyl)anilino]-2-oxoethyl] 3-(2,5-dimethylphenoxy)propanoate
CID 7604984
N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 24535265
N-[2-(4-chlorophenyl)ethyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 18293065
N-(2,5-dimethoxyphenyl)-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 7962700
2-(2-chloro-4-cyanophenoxy)-N-[4-(cyanomethyl)phenyl]acetamide
CID 8977298
[2-[4-(cyanomethyl)anilino]-2-oxoethyl] 2,5-dimethylbenzoate
CID 7604448

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyanomethyl)phenyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-[4-(cyanomethyl)phenyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide (CID 9260247) is N-[4-(cyanomethyl)phenyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[4-(cyanomethyl)phenyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[4-(cyanomethyl)phenyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide is Cc1ccc(C(C)C)cc1OCC(=O)Nc1ccc(CC#N)cc1.
What is the InChIKey of N-[4-(cyanomethyl)phenyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide?
The InChIKey is XUMSHJXQERXTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-14(2)17-7-4-15(3)19(12-17)24-13-20(23)22-18-8-5-16(6-9-18)10-11-21/h4-9,12,14H,10,13H2,1-3H3,(H,22,23).
What are the key properties of N-[4-(cyanomethyl)phenyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide?
N-[4-(cyanomethyl)phenyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide has a molecular weight of 322.41 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyanomethyl)phenyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 9260247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).