2-(3,5-dimethylphenoxy)-N-(4-methylpiperazin-1-yl)acetamide

C15H23N3O2 — CID 9204914

IUPAC2-(3,5-dimethylphenoxy)-N-(4-methylpiperazin-1-yl)acetamide
SMILESCc1cc(C)cc(OCC(=O)NN2CCN(C)CC2)c1
InChIInChI=1S/C15H23N3O2/c1-12-8-13(2)10-14(9-12)20-11-15(19)16-18-6-4-17(3)5-7-18/h8-10H,4-7,11H2,1-3H3,(H,16,19)
InChIKeyQGLDSPMZQKVMJP-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.96
Rot. Bonds4

About 2-(3,5-dimethylphenoxy)-N-(4-methylpiperazin-1-yl)acetamide

2-(3,5-dimethylphenoxy)-N-(4-methylpiperazin-1-yl)acetamide (PubChem CID 9204914) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-(3,5-dimethylphenoxy)-N-(4-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylphenoxy)-N-(4-methylpiperazin-1-yl)acetamide
PubChem CID9204914
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-(3,5-dimethylphenoxy)-N-(4-methylpiperazin-1-yl)acetamide
SMILESCc1cc(C)cc(OCC(=O)NN2CCN(C)CC2)c1
InChIInChI=1S/C15H23N3O2/c1-12-8-13(2)10-14(9-12)20-11-15(19)16-18-6-4-17(3)5-7-18/h8-10H,4-7,11H2,1-3H3,(H,16,19)
InChIKeyQGLDSPMZQKVMJP-UHFFFAOYSA-N
XLogP0.96
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylphenoxy)-N-(4-methylpiperazin-1-yl)acetamide
CID 891918
3-(4-methylphenoxy)-N-(4-methylpiperazin-1-yl)propanamide
CID 9205006
N'-[2-(3,5-dimethylphenoxy)acetyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetohydrazide
CID 9321929
1-[2-(3,5-dimethylphenoxy)acetyl]piperidin-4-one
CID 39361344
2-(3,4-dimethylphenoxy)-N-morpholin-4-ylacetamide
CID 17443595
2-(3-methylphenoxy)-N-(1-methylpiperidin-4-yl)acetamide
CID 47114454
ethyl 4-[2-(3,5-dimethylphenoxy)acetyl]piperazine-1-carboxylate
CID 3334137
5-[[2-(3,5-dimethylphenoxy)acetyl]amino]benzene-1,3-dicarboxylic acid
CID 17359281
2-(3,5-dimethylphenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 41099474
2-(3,5-dimethylphenoxy)-N-(2-hydroxypropyl)acetamide
CID 43391085
2-(3,5-dimethylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 60624693
2-[[2-(3,5-dimethylphenoxy)acetyl]amino]-3-hydroxybutanoic acid
CID 43238738

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenoxy)-N-(4-methylpiperazin-1-yl)acetamide?
The IUPAC name of 2-(3,5-dimethylphenoxy)-N-(4-methylpiperazin-1-yl)acetamide (CID 9204914) is 2-(3,5-dimethylphenoxy)-N-(4-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for 2-(3,5-dimethylphenoxy)-N-(4-methylpiperazin-1-yl)acetamide?
The canonical SMILES for 2-(3,5-dimethylphenoxy)-N-(4-methylpiperazin-1-yl)acetamide is Cc1cc(C)cc(OCC(=O)NN2CCN(C)CC2)c1.
What is the InChIKey of 2-(3,5-dimethylphenoxy)-N-(4-methylpiperazin-1-yl)acetamide?
The InChIKey is QGLDSPMZQKVMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-12-8-13(2)10-14(9-12)20-11-15(19)16-18-6-4-17(3)5-7-18/h8-10H,4-7,11H2,1-3H3,(H,16,19).
What are the key properties of 2-(3,5-dimethylphenoxy)-N-(4-methylpiperazin-1-yl)acetamide?
2-(3,5-dimethylphenoxy)-N-(4-methylpiperazin-1-yl)acetamide has a molecular weight of 277.37 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenoxy)-N-(4-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 9204914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).