2-(4-acetylphenoxy)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide

C22H27N3O3 — CID 51273423

IUPAC2-(4-acetylphenoxy)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide
SMILESCC(=O)c1ccc(OCC(=O)Nc2ccc(N3CCN(C)CC3)c(C)c2)cc1
InChIInChI=1S/C22H27N3O3/c1-16-14-19(6-9-21(16)25-12-10-24(3)11-13-25)23-22(27)15-28-20-7-4-18(5-8-20)17(2)26/h4-9,14H,10-13,15H2,1-3H3,(H,23,27)
InChIKeyICOHXZWBWNSPJB-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.97
Rot. Bonds6

About 2-(4-acetylphenoxy)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide

2-(4-acetylphenoxy)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide (PubChem CID 51273423) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 2-(4-acetylphenoxy)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-acetylphenoxy)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide
PubChem CID51273423
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name2-(4-acetylphenoxy)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide
SMILESCC(=O)c1ccc(OCC(=O)Nc2ccc(N3CCN(C)CC3)c(C)c2)cc1
InChIInChI=1S/C22H27N3O3/c1-16-14-19(6-9-21(16)25-12-10-24(3)11-13-25)23-22(27)15-28-20-7-4-18(5-8-20)17(2)26/h4-9,14H,10-13,15H2,1-3H3,(H,23,27)
InChIKeyICOHXZWBWNSPJB-UHFFFAOYSA-N
XLogP2.97
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(2,5-dimethylphenoxy)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 39726745
N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-2-phenoxyacetamide
CID 2995302
N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 24535265
3-methyl-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-[(2-phenoxyacetyl)amino]butanamide
CID 134016392
2-(4-bromophenyl)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 38172833
2-(4-chlorophenyl)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 51273382
N-(3-methylphenyl)-2-[4-(4-methylpiperazine-1-carbothioyl)phenoxy]acetamide
CID 126245971
2-(4-methylphenoxy)-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]acetamide
CID 122299107
2-(4-acetylphenoxy)-N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)acetamide
CID 55835649
N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-(2-methylphenyl)sulfanylacetamide
CID 39726957
2-(2-chlorophenyl)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 24535268
2-(4-methylphenoxy)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 3160208

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylphenoxy)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide?
The IUPAC name of 2-(4-acetylphenoxy)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide (CID 51273423) is 2-(4-acetylphenoxy)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-acetylphenoxy)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-acetylphenoxy)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide is CC(=O)c1ccc(OCC(=O)Nc2ccc(N3CCN(C)CC3)c(C)c2)cc1.
What is the InChIKey of 2-(4-acetylphenoxy)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide?
The InChIKey is ICOHXZWBWNSPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-16-14-19(6-9-21(16)25-12-10-24(3)11-13-25)23-22(27)15-28-20-7-4-18(5-8-20)17(2)26/h4-9,14H,10-13,15H2,1-3H3,(H,23,27).
What are the key properties of 2-(4-acetylphenoxy)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide?
2-(4-acetylphenoxy)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide has a molecular weight of 381.48 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylphenoxy)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide is sourced from PubChem (CID 51273423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).