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

C22H27N3O3 — CID 2944357

IUPAC2-(3-methylphenoxy)-N-[2-(4-propanoylpiperazin-1-yl)phenyl]acetamide
SMILESCCC(=O)N1CCN(c2ccccc2NC(=O)COc2cccc(C)c2)CC1
InChIInChI=1S/C22H27N3O3/c1-3-22(27)25-13-11-24(12-14-25)20-10-5-4-9-19(20)23-21(26)16-28-18-8-6-7-17(2)15-18/h4-10,15H,3,11-14,16H2,1-2H3,(H,23,26)
InChIKeyFPTZLRVGGQBUCS-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.07
Rot. Bonds6

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

2-(3-methylphenoxy)-N-[2-(4-propanoylpiperazin-1-yl)phenyl]acetamide (PubChem CID 2944357) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-N-[2-(4-propanoylpiperazin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-methylphenoxy)-N-[2-(4-propanoylpiperazin-1-yl)phenyl]acetamide
PubChem CID2944357
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name2-(3-methylphenoxy)-N-[2-(4-propanoylpiperazin-1-yl)phenyl]acetamide
SMILESCCC(=O)N1CCN(c2ccccc2NC(=O)COc2cccc(C)c2)CC1
InChIInChI=1S/C22H27N3O3/c1-3-22(27)25-13-11-24(12-14-25)20-10-5-4-9-19(20)23-21(26)16-28-18-8-6-7-17(2)15-18/h4-10,15H,3,11-14,16H2,1-2H3,(H,23,26)
InChIKeyFPTZLRVGGQBUCS-UHFFFAOYSA-N
XLogP3.07
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-N-[2-(4-propanoylpiperazin-1-yl)phenyl]acetamide?
The IUPAC name of 2-(3-methylphenoxy)-N-[2-(4-propanoylpiperazin-1-yl)phenyl]acetamide (CID 2944357) is 2-(3-methylphenoxy)-N-[2-(4-propanoylpiperazin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(3-methylphenoxy)-N-[2-(4-propanoylpiperazin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(3-methylphenoxy)-N-[2-(4-propanoylpiperazin-1-yl)phenyl]acetamide is CCC(=O)N1CCN(c2ccccc2NC(=O)COc2cccc(C)c2)CC1.
What is the InChIKey of 2-(3-methylphenoxy)-N-[2-(4-propanoylpiperazin-1-yl)phenyl]acetamide?
The InChIKey is FPTZLRVGGQBUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-3-22(27)25-13-11-24(12-14-25)20-10-5-4-9-19(20)23-21(26)16-28-18-8-6-7-17(2)15-18/h4-10,15H,3,11-14,16H2,1-2H3,(H,23,26).
What are the key properties of 2-(3-methylphenoxy)-N-[2-(4-propanoylpiperazin-1-yl)phenyl]acetamide?
2-(3-methylphenoxy)-N-[2-(4-propanoylpiperazin-1-yl)phenyl]acetamide has a molecular weight of 381.48 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-N-[2-(4-propanoylpiperazin-1-yl)phenyl]acetamide is sourced from PubChem (CID 2944357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).