2-[4-[3-(2,3-dimethylphenoxy)propanoyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide

C25H33N3O3 — CID 31998704

IUPAC2-[4-[3-(2,3-dimethylphenoxy)propanoyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CN1CCN(C(=O)CCOc2cccc(C)c2C)CC1
InChIInChI=1S/C25H33N3O3/c1-4-21-9-5-6-10-22(21)26-24(29)18-27-13-15-28(16-14-27)25(30)12-17-31-23-11-7-8-19(2)20(23)3/h5-11H,4,12-18H2,1-3H3,(H,26,29)
InChIKeyZMMPLSHVSDHGAA-UHFFFAOYSA-N
MW423.56 g/mol
LogP3.42
Rot. Bonds8

About 2-[4-[3-(2,3-dimethylphenoxy)propanoyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide

2-[4-[3-(2,3-dimethylphenoxy)propanoyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide (PubChem CID 31998704) has the molecular formula C25H33N3O3 and a molecular weight of 423.56 g/mol. Its IUPAC name is 2-[4-[3-(2,3-dimethylphenoxy)propanoyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[3-(2,3-dimethylphenoxy)propanoyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
PubChem CID31998704
Molecular FormulaC25H33N3O3
Molecular Weight423.56 g/mol
Exact Mass423.25
IUPAC Name2-[4-[3-(2,3-dimethylphenoxy)propanoyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CN1CCN(C(=O)CCOc2cccc(C)c2C)CC1
InChIInChI=1S/C25H33N3O3/c1-4-21-9-5-6-10-22(21)26-24(29)18-27-13-15-28(16-14-27)25(30)12-17-31-23-11-7-8-19(2)20(23)3/h5-11H,4,12-18H2,1-3H3,(H,26,29)
InChIKeyZMMPLSHVSDHGAA-UHFFFAOYSA-N
XLogP3.42
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dimethylphenyl)-2-[4-[3-(2-ethoxyphenyl)propanoyl]piperazin-1-yl]acetamide
CID 32964591
N-cyclopropyl-2-[4-[3-(2,3-dimethylphenoxy)propanoyl]piperazin-1-yl]acetamide
CID 47024315
2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 9436502
N-(2-ethylphenyl)-2-(4-hexanoylpiperazin-1-yl)acetamide
CID 60522003
N-(2,3-dimethylphenyl)-2-(4-pentanoylpiperazin-1-yl)acetamide
CID 27859808
N-(2,3-dimethylphenyl)-2-(4-propanoylpiperazin-1-yl)acetamide
CID 27859826
N-(2,3-dimethylphenyl)-2-[4-[(2-ethoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9435359
N-(2-ethylphenyl)-2-[4-[2-[2-(trifluoromethyl)phenoxy]acetyl]piperazin-1-yl]acetamide
CID 39015022
N-(2-ethylphenyl)-2-[4-[2-(2-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 9436558
2-[4-[4-(2,5-dimethylphenyl)-4-oxobutanoyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 27852327
N-(2-ethylphenyl)-2-[4-[2-(methylamino)acetyl]piperazin-1-yl]acetamide;hydrochloride
CID 120703347
2-[4-[2-(2-butan-2-ylphenoxy)acetyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 18137081

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(2,3-dimethylphenoxy)propanoyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide?
The IUPAC name of 2-[4-[3-(2,3-dimethylphenoxy)propanoyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide (CID 31998704) is 2-[4-[3-(2,3-dimethylphenoxy)propanoyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide.
What is the SMILES notation for 2-[4-[3-(2,3-dimethylphenoxy)propanoyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide?
The canonical SMILES for 2-[4-[3-(2,3-dimethylphenoxy)propanoyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide is CCc1ccccc1NC(=O)CN1CCN(C(=O)CCOc2cccc(C)c2C)CC1.
What is the InChIKey of 2-[4-[3-(2,3-dimethylphenoxy)propanoyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide?
The InChIKey is ZMMPLSHVSDHGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O3/c1-4-21-9-5-6-10-22(21)26-24(29)18-27-13-15-28(16-14-27)25(30)12-17-31-23-11-7-8-19(2)20(23)3/h5-11H,4,12-18H2,1-3H3,(H,26,29).
What are the key properties of 2-[4-[3-(2,3-dimethylphenoxy)propanoyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide?
2-[4-[3-(2,3-dimethylphenoxy)propanoyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide has a molecular weight of 423.56 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(2,3-dimethylphenoxy)propanoyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide is sourced from PubChem (CID 31998704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).