2-(2-cyanophenoxy)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide

C20H22N4O2 — CID 18189900

IUPAC2-(2-cyanophenoxy)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide
SMILESCN1CCN(c2ccccc2NC(=O)COc2ccccc2C#N)CC1
InChIInChI=1S/C20H22N4O2/c1-23-10-12-24(13-11-23)18-8-4-3-7-17(18)22-20(25)15-26-19-9-5-2-6-16(19)14-21/h2-9H,10-13,15H2,1H3,(H,22,25)
InChIKeyMVGDSVFTAFJHNX-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.33
Rot. Bonds5

About 2-(2-cyanophenoxy)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide

2-(2-cyanophenoxy)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide (PubChem CID 18189900) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide
PubChem CID18189900
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name2-(2-cyanophenoxy)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide
SMILESCN1CCN(c2ccccc2NC(=O)COc2ccccc2C#N)CC1
InChIInChI=1S/C20H22N4O2/c1-23-10-12-24(13-11-23)18-8-4-3-7-17(18)22-20(25)15-26-19-9-5-2-6-16(19)14-21/h2-9H,10-13,15H2,1H3,(H,22,25)
InChIKeyMVGDSVFTAFJHNX-UHFFFAOYSA-N
XLogP2.33
TPSA68.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide (CID 18189900) is 2-(2-cyanophenoxy)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide is CN1CCN(c2ccccc2NC(=O)COc2ccccc2C#N)CC1.
What is the InChIKey of 2-(2-cyanophenoxy)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide?
The InChIKey is MVGDSVFTAFJHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-23-10-12-24(13-11-23)18-8-4-3-7-17(18)22-20(25)15-26-19-9-5-2-6-16(19)14-21/h2-9H,10-13,15H2,1H3,(H,22,25).
What are the key properties of 2-(2-cyanophenoxy)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide?
2-(2-cyanophenoxy)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide has a molecular weight of 350.42 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenoxy)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide is sourced from PubChem (CID 18189900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).