2-(2-methylphenoxy)-N-[3-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]acetamide

C22H27N3O3 — CID 170861936

IUPAC2-(2-methylphenoxy)-N-[3-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]acetamide
SMILESCc1ccccc1OCC(=O)Nc1cccc(C(=O)CN2CCN(C)CC2)c1
InChIInChI=1S/C22H27N3O3/c1-17-6-3-4-9-21(17)28-16-22(27)23-19-8-5-7-18(14-19)20(26)15-25-12-10-24(2)11-13-25/h3-9,14H,10-13,15-16H2,1-2H3,(H,23,27)
InChIKeyFXHYMIJAXUCRTN-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.44
Rot. Bonds7

About 2-(2-methylphenoxy)-N-[3-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]acetamide

2-(2-methylphenoxy)-N-[3-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]acetamide (PubChem CID 170861936) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-N-[3-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(2-methylphenoxy)-N-[3-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]acetamide
PubChem CID170861936
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name2-(2-methylphenoxy)-N-[3-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]acetamide
SMILESCc1ccccc1OCC(=O)Nc1cccc(C(=O)CN2CCN(C)CC2)c1
InChIInChI=1S/C22H27N3O3/c1-17-6-3-4-9-21(17)28-16-22(27)23-19-8-5-7-18(14-19)20(26)15-25-12-10-24(2)11-13-25/h3-9,14H,10-13,15-16H2,1-2H3,(H,23,27)
InChIKeyFXHYMIJAXUCRTN-UHFFFAOYSA-N
XLogP2.44
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chloro-2-methylphenoxy)-N-[3-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]acetamide
CID 170861952
1-(3-methoxyphenyl)-3-[3-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]urea
CID 170861674
3-[[2-(2-methylphenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 26164549
2-(2-methylphenoxy)-N-(3-methylphenyl)acetamide
CID 747103
N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]-2-phenoxyacetamide
CID 110314944
3-[[2-(2,3-dimethylphenoxy)acetyl]amino]benzoic acid
CID 720618
3-[[2-(2-methylphenoxy)acetyl]amino]-N-propylbenzamide
CID 17222626
2-(2-methylphenoxy)-N-(4-methylpiperazin-1-yl)acetamide
CID 891918
2-(2,4-dichlorophenoxy)-N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]acetamide
CID 170861562
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-(2-methylphenoxy)acetamide
CID 7638794
2-(2-methylphenoxy)-N-(3-methylsulfanylphenyl)acetamide
CID 835998
N-(3-methoxyphenyl)-2-(4-methylpiperazin-1-yl)acetamide;hydrochloride
CID 2958479

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)-N-[3-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]acetamide?
The IUPAC name of 2-(2-methylphenoxy)-N-[3-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]acetamide (CID 170861936) is 2-(2-methylphenoxy)-N-[3-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]acetamide.
What is the SMILES notation for 2-(2-methylphenoxy)-N-[3-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]acetamide?
The canonical SMILES for 2-(2-methylphenoxy)-N-[3-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]acetamide is Cc1ccccc1OCC(=O)Nc1cccc(C(=O)CN2CCN(C)CC2)c1.
What is the InChIKey of 2-(2-methylphenoxy)-N-[3-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]acetamide?
The InChIKey is FXHYMIJAXUCRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-17-6-3-4-9-21(17)28-16-22(27)23-19-8-5-7-18(14-19)20(26)15-25-12-10-24(2)11-13-25/h3-9,14H,10-13,15-16H2,1-2H3,(H,23,27).
What are the key properties of 2-(2-methylphenoxy)-N-[3-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]acetamide?
2-(2-methylphenoxy)-N-[3-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]acetamide has a molecular weight of 381.48 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)-N-[3-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]acetamide is sourced from PubChem (CID 170861936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).