N-(2,3-dimethylphenyl)-2-[4-[3-(2-ethoxyphenyl)propanoyl]piperazin-1-yl]acetamide

C25H33N3O3 — CID 32964591

IUPACN-(2,3-dimethylphenyl)-2-[4-[3-(2-ethoxyphenyl)propanoyl]piperazin-1-yl]acetamide
SMILESCCOc1ccccc1CCC(=O)N1CCN(CC(=O)Nc2cccc(C)c2C)CC1
InChIInChI=1S/C25H33N3O3/c1-4-31-23-11-6-5-9-21(23)12-13-25(30)28-16-14-27(15-17-28)18-24(29)26-22-10-7-8-19(2)20(22)3/h5-11H,4,12-18H2,1-3H3,(H,26,29)
InChIKeyABCQMEAJUPYUMX-UHFFFAOYSA-N
MW423.56 g/mol
LogP3.42
Rot. Bonds8

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

N-(2,3-dimethylphenyl)-2-[4-[3-(2-ethoxyphenyl)propanoyl]piperazin-1-yl]acetamide (PubChem CID 32964591) has the molecular formula C25H33N3O3 and a molecular weight of 423.56 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[4-[3-(2-ethoxyphenyl)propanoyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-[4-[3-(2-ethoxyphenyl)propanoyl]piperazin-1-yl]acetamide
PubChem CID32964591
Molecular FormulaC25H33N3O3
Molecular Weight423.56 g/mol
Exact Mass423.25
IUPAC NameN-(2,3-dimethylphenyl)-2-[4-[3-(2-ethoxyphenyl)propanoyl]piperazin-1-yl]acetamide
SMILESCCOc1ccccc1CCC(=O)N1CCN(CC(=O)Nc2cccc(C)c2C)CC1
InChIInChI=1S/C25H33N3O3/c1-4-31-23-11-6-5-9-21(23)12-13-25(30)28-16-14-27(15-17-28)18-24(29)26-22-10-7-8-19(2)20(22)3/h5-11H,4,12-18H2,1-3H3,(H,26,29)
InChIKeyABCQMEAJUPYUMX-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-[(2-ethoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9435359
2-[4-[3-(2,3-dimethylphenoxy)propanoyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 31998704
2-[4-[3-(2-ethoxyphenyl)propanoyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 8749262
N-(2,3-dimethylphenyl)-2-(4-pentanoylpiperazin-1-yl)acetamide
CID 27859808
N-(2,3-dimethylphenyl)-2-(4-propanoylpiperazin-1-yl)acetamide
CID 27859826
2-[4-[2-(2-butan-2-ylphenoxy)acetyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 18137081
N-(2,3-dimethylphenyl)-2-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 78795520
N-(2,3-dimethylphenyl)-2-[4-(3-pyridin-3-ylpropanoyl)piperazin-1-yl]acetamide
CID 27860014
2-[4-(2-ethoxybenzoyl)piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 87014558
N-(2,3-dimethylphenyl)-2-[4-[4-(methylamino)butanoyl]piperazin-1-yl]acetamide;dihydrochloride
CID 119833595
2-[4-(7-aminoheptanoyl)piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 119833586
1-(4-acetyl-1,4-diazepan-1-yl)-3-(2-ethoxyphenyl)propan-1-one
CID 134061684

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-[4-[3-(2-ethoxyphenyl)propanoyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-[4-[3-(2-ethoxyphenyl)propanoyl]piperazin-1-yl]acetamide (CID 32964591) is N-(2,3-dimethylphenyl)-2-[4-[3-(2-ethoxyphenyl)propanoyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-[4-[3-(2-ethoxyphenyl)propanoyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-[4-[3-(2-ethoxyphenyl)propanoyl]piperazin-1-yl]acetamide is CCOc1ccccc1CCC(=O)N1CCN(CC(=O)Nc2cccc(C)c2C)CC1.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-[4-[3-(2-ethoxyphenyl)propanoyl]piperazin-1-yl]acetamide?
The InChIKey is ABCQMEAJUPYUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O3/c1-4-31-23-11-6-5-9-21(23)12-13-25(30)28-16-14-27(15-17-28)18-24(29)26-22-10-7-8-19(2)20(22)3/h5-11H,4,12-18H2,1-3H3,(H,26,29).
What are the key properties of N-(2,3-dimethylphenyl)-2-[4-[3-(2-ethoxyphenyl)propanoyl]piperazin-1-yl]acetamide?
N-(2,3-dimethylphenyl)-2-[4-[3-(2-ethoxyphenyl)propanoyl]piperazin-1-yl]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 N-(2,3-dimethylphenyl)-2-[4-[3-(2-ethoxyphenyl)propanoyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 32964591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).