2-(3-cyanophenoxy)-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide

C20H22N2O3 — CID 51286906

IUPAC2-(3-cyanophenoxy)-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide
SMILESCOc1ccc(C(NC(=O)COc2cccc(C#N)c2)C(C)C)cc1
InChIInChI=1S/C20H22N2O3/c1-14(2)20(16-7-9-17(24-3)10-8-16)22-19(23)13-25-18-6-4-5-15(11-18)12-21/h4-11,14,20H,13H2,1-3H3,(H,22,23)
InChIKeyXJWXRHRSOPFLPJ-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.46
Rot. Bonds7

About 2-(3-cyanophenoxy)-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide

2-(3-cyanophenoxy)-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide (PubChem CID 51286906) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-(3-cyanophenoxy)-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide.

Molecular Properties

Compound Name2-(3-cyanophenoxy)-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide
PubChem CID51286906
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name2-(3-cyanophenoxy)-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide
SMILESCOc1ccc(C(NC(=O)COc2cccc(C#N)c2)C(C)C)cc1
InChIInChI=1S/C20H22N2O3/c1-14(2)20(16-7-9-17(24-3)10-8-16)22-19(23)13-25-18-6-4-5-15(11-18)12-21/h4-11,14,20H,13H2,1-3H3,(H,22,23)
InChIKeyXJWXRHRSOPFLPJ-UHFFFAOYSA-N
XLogP3.46
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenoxy)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 9048684
2-(4-cyano-2-methoxyphenoxy)-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 51266936
2-(4-methoxyphenoxy)-N-[(1R)-2-methyl-1-phenylpropyl]acetamide
CID 9050798
2-(4-bromophenoxy)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 9048719
2-(3-cyanophenoxy)-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 9113198
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(3-cyanophenoxy)acetamide
CID 7964571
2-(3-cyanophenoxy)-N-[(1R)-1-cyclopropylethyl]acetamide
CID 9334701
N-[[(2R)-butan-2-yl]carbamoyl]-2-(3-cyanophenoxy)acetamide
CID 7964489
N-[(R)-(4-chlorophenyl)-phenylmethyl]-2-(3-cyanophenoxy)acetamide
CID 8852910
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-naphthalen-2-yloxyacetamide
CID 94843861
N-(3-cyanophenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 798498
2-(3-methoxyphenoxy)-N-(1-naphthalen-2-ylethyl)acetamide
CID 112779282

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyanophenoxy)-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide?
The IUPAC name of 2-(3-cyanophenoxy)-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide (CID 51286906) is 2-(3-cyanophenoxy)-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide.
What is the SMILES notation for 2-(3-cyanophenoxy)-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide?
The canonical SMILES for 2-(3-cyanophenoxy)-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide is COc1ccc(C(NC(=O)COc2cccc(C#N)c2)C(C)C)cc1.
What is the InChIKey of 2-(3-cyanophenoxy)-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide?
The InChIKey is XJWXRHRSOPFLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-14(2)20(16-7-9-17(24-3)10-8-16)22-19(23)13-25-18-6-4-5-15(11-18)12-21/h4-11,14,20H,13H2,1-3H3,(H,22,23).
What are the key properties of 2-(3-cyanophenoxy)-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide?
2-(3-cyanophenoxy)-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide has a molecular weight of 338.41 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyanophenoxy)-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide is sourced from PubChem (CID 51286906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).