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

C20H26N3O2+ — CID 7220536

IUPAC2-(2-methylphenoxy)-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]acetamide
SMILESCc1ccccc1OCC(=O)Nc1ccccc1N1CC[NH+](C)CC1
InChIInChI=1S/C20H25N3O2/c1-16-7-3-6-10-19(16)25-15-20(24)21-17-8-4-5-9-18(17)23-13-11-22(2)12-14-23/h3-10H,11-15H2,1-2H3,(H,21,24)/p+1
InChIKeyJIUBREHWTIAUOF-UHFFFAOYSA-O
MW340.45 g/mol
LogP1.35
Rot. Bonds5

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

2-(2-methylphenoxy)-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]acetamide (PubChem CID 7220536) has the molecular formula C20H26N3O2+ and a molecular weight of 340.45 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-methylphenoxy)-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]acetamide
PubChem CID7220536
Molecular FormulaC20H26N3O2+
Molecular Weight340.45 g/mol
Exact Mass340.20
IUPAC Name2-(2-methylphenoxy)-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]acetamide
SMILESCc1ccccc1OCC(=O)Nc1ccccc1N1CC[NH+](C)CC1
InChIInChI=1S/C20H25N3O2/c1-16-7-3-6-10-19(16)25-15-20(24)21-17-8-4-5-9-18(17)23-13-11-22(2)12-14-23/h3-10H,11-15H2,1-2H3,(H,21,24)/p+1
InChIKeyJIUBREHWTIAUOF-UHFFFAOYSA-O
XLogP1.35
TPSA46.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-benzylphenoxy)-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 7492222
2-(2-methylphenoxy)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 1396653
N-(2-pyrrolidin-1-ylphenyl)-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 39095289
2-(4-methylphenoxy)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 3160208
2-[[2-(2-methylphenoxy)acetyl]amino]benzamide
CID 4268113
2-(2-cyanophenoxy)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 18189900
N-(2-amino-4-methylphenyl)-2-(2-methylphenoxy)acetamide
CID 43376481
2-(2,4-difluorophenoxy)-N-(2-piperidin-1-ylphenyl)acetamide
CID 31887225
2-(2,4-dimethylphenoxy)-N-[(2-piperidin-1-ylphenyl)carbamothioyl]acetamide
CID 4503461
N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-(3-methylphenoxy)acetamide
CID 7551877
3-chloro-4-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide
CID 7473635
3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-(2-methylphenyl)propanamide
CID 7460118

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]acetamide?
The IUPAC name of 2-(2-methylphenoxy)-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]acetamide (CID 7220536) is 2-(2-methylphenoxy)-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(2-methylphenoxy)-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(2-methylphenoxy)-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]acetamide is Cc1ccccc1OCC(=O)Nc1ccccc1N1CC[NH+](C)CC1.
What is the InChIKey of 2-(2-methylphenoxy)-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]acetamide?
The InChIKey is JIUBREHWTIAUOF-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H25N3O2/c1-16-7-3-6-10-19(16)25-15-20(24)21-17-8-4-5-9-18(17)23-13-11-22(2)12-14-23/h3-10H,11-15H2,1-2H3,(H,21,24)/p+1.
What are the key properties of 2-(2-methylphenoxy)-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]acetamide?
2-(2-methylphenoxy)-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]acetamide has a molecular weight of 340.45 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]acetamide is sourced from PubChem (CID 7220536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).